1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine

C20H32N6 — CID 171644507

IUPAC1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
SMILESC=CN1CCCC(NC(=C)NCc2cc3cc(CN)ccc3[nH]2)C1.CN
InChIInChI=1S/C19H27N5.CH5N/c1-3-24-8-4-5-17(13-24)22-14(2)21-12-18-10-16-9-15(11-20)6-7-19(16)23-18;1-2/h3,6-7,9-10,17,21-23H,1-2,4-5,8,11-13,20H2;2H2,1H3
InChIKeyZAKVOUONFYMWAM-UHFFFAOYSA-N
MW356.52 g/mol
LogP1.96
Rot. Bonds7

About 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine

1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine (PubChem CID 171644507) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine.

Molecular Properties

Compound Name1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
PubChem CID171644507
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
SMILESC=CN1CCCC(NC(=C)NCc2cc3cc(CN)ccc3[nH]2)C1.CN
InChIInChI=1S/C19H27N5.CH5N/c1-3-24-8-4-5-17(13-24)22-14(2)21-12-18-10-16-9-15(11-20)6-7-19(16)23-18;1-2/h3,6-7,9-10,17,21-23H,1-2,4-5,8,11-13,20H2;2H2,1H3
InChIKeyZAKVOUONFYMWAM-UHFFFAOYSA-N
XLogP1.96
TPSA95.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(1-ethenylpiperidin-3-yl)amino]ethenylamino]methyl]-5-methoxy-1H-indole-6-carbonitrile
CID 171644385
ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643867
1-N'-(1-but-1-en-2-ylpiperidin-3-yl)-1-N-[(5-chloro-1H-indol-2-yl)methyl]ethene-1,1-diamine
CID 171644323
ethenylcyclohexane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643967
1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;N-prop-2-enylprop-1-en-2-amine
CID 171644270
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[1-(cyclobutylamino)ethenyl]piperidin-3-yl]ethene-1,1-diamine
CID 171644016
ethane;hexa-1,5-diene;1-N-[(5-methoxy-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171644486
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine;prop-2-enylcyclobutane
CID 171644239
1-N'-[2-[3-[1-[(5-chloro-1H-indol-2-yl)methylamino]ethenylamino]piperidin-1-yl]prop-2-enyl]-1-N-methylethene-1,1-diamine
CID 171643942
N-amino-N'-[1-[3-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenylamino]piperidin-1-yl]ethenyl]methanimidamide
CID 171644166
1-N-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-[3-(2-methylidenepyrrolidin-1-yl)prop-1-en-2-yl]piperidin-3-yl]ethene-1,1-diamine
CID 171643897
(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
CID 171644561

Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine?
The IUPAC name of 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine (CID 171644507) is 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine.
What is the SMILES notation for 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine?
The canonical SMILES for 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine is C=CN1CCCC(NC(=C)NCc2cc3cc(CN)ccc3[nH]2)C1.CN.
What is the InChIKey of 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine?
The InChIKey is ZAKVOUONFYMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.CH5N/c1-3-24-8-4-5-17(13-24)22-14(2)21-12-18-10-16-9-15(11-20)6-7-19(16)23-18;1-2/h3,6-7,9-10,17,21-23H,1-2,4-5,8,11-13,20H2;2H2,1H3.
What are the key properties of 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine?
1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine has a molecular weight of 356.52 g/mol, XLogP of 1.96, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[5-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine is sourced from PubChem (CID 171644507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).