1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine

C14H19N3 — CID 116958427

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine
SMILESCNC(c1c[nH]c2ccccc12)C1(CN)CC1
InChIInChI=1S/C14H19N3/c1-16-13(14(9-15)6-7-14)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,13,16-17H,6-7,9,15H2,1H3
InChIKeyKMXLISAOTNVVBP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine

1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine (PubChem CID 116958427) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine
PubChem CID116958427
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine
SMILESCNC(c1c[nH]c2ccccc12)C1(CN)CC1
InChIInChI=1S/C14H19N3/c1-16-13(14(9-15)6-7-14)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,13,16-17H,6-7,9,15H2,1H3
InChIKeyKMXLISAOTNVVBP-UHFFFAOYSA-N
XLogP2.17
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1H-indol-3-yl-(1-methoxycyclohexyl)methyl]hydrazine
CID 112742873
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
3-propan-2-yl-1H-indole
CID 12534824
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine (CID 116958427) is 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine is CNC(c1c[nH]c2ccccc12)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is KMXLISAOTNVVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-13(14(9-15)6-7-14)11-8-17-12-5-3-2-4-10(11)12/h2-5,8,13,16-17H,6-7,9,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine?
1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 116958427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).