(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine

C19H28N6 — CID 171644561

IUPAC(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
SMILESC=C(NCc1cc2cc(C)ccc2[nH]1)NC1CC[C@H](N)N(C(=C)N)C1
InChIInChI=1S/C19H28N6/c1-12-4-6-18-15(8-12)9-17(24-18)10-22-14(3)23-16-5-7-19(21)25(11-16)13(2)20/h4,6,8-9,16,19,22-24H,2-3,5,7,10-11,20-21H2,1H3/t16?,19-/m1/s1
InChIKeyUVZTXILRJRYDND-LRTDYKAYSA-N
MW340.48 g/mol
LogP1.81
Rot. Bonds6

About (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine

(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine (PubChem CID 171644561) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine.

Molecular Properties

Compound Name(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
PubChem CID171644561
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine
SMILESC=C(NCc1cc2cc(C)ccc2[nH]1)NC1CC[C@H](N)N(C(=C)N)C1
InChIInChI=1S/C19H28N6/c1-12-4-6-18-15(8-12)9-17(24-18)10-22-14(3)23-16-5-7-19(21)25(11-16)13(2)20/h4,6,8-9,16,19,22-24H,2-3,5,7,10-11,20-21H2,1H3/t16?,19-/m1/s1
InChIKeyUVZTXILRJRYDND-LRTDYKAYSA-N
XLogP1.81
TPSA95.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

ethenylcyclopentane;1-N-[(5-methyl-1H-indol-2-yl)methyl]-1-N'-(1-methylpiperidin-3-yl)ethene-1,1-diamine
CID 171643867
N-amino-N'-[1-[3-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenylamino]piperidin-1-yl]ethenyl]methanimidamide
CID 171644166
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-(aminomethyl)-1H-indol-2-yl]methyl]-1-N'-(1-ethenylpiperidin-3-yl)ethene-1,1-diamine;methanamine
CID 171644507
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
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
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-[(5-chloro-1H-indol-2-yl)methyl]-1-N'-[1-(1-piperidin-2-ylethenyl)piperidin-3-yl]ethene-1,1-diamine
CID 171644608
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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine?
The IUPAC name of (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine (CID 171644561) is (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine.
What is the SMILES notation for (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine?
The canonical SMILES for (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine is C=C(NCc1cc2cc(C)ccc2[nH]1)NC1CC[C@H](N)N(C(=C)N)C1.
What is the InChIKey of (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine?
The InChIKey is UVZTXILRJRYDND-LRTDYKAYSA-N. The full InChI is InChI=1S/C19H28N6/c1-12-4-6-18-15(8-12)9-17(24-18)10-22-14(3)23-16-5-7-19(21)25(11-16)13(2)20/h4,6,8-9,16,19,22-24H,2-3,5,7,10-11,20-21H2,1H3/t16?,19-/m1/s1.
What are the key properties of (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine?
(2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine has a molecular weight of 340.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-aminoethenyl)-5-N-[1-[(5-methyl-1H-indol-2-yl)methylamino]ethenyl]piperidine-2,5-diamine is sourced from PubChem (CID 171644561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).