[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine

C14H21N3 — CID 117182192

IUPAC[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
SMILESCNCc1cn(C(C)C)c2c(CN)cccc12
InChIInChI=1S/C14H21N3/c1-10(2)17-9-12(8-16-3)13-6-4-5-11(7-15)14(13)17/h4-6,9-10,16H,7-8,15H2,1-3H3
InChIKeyVVJRTPXAVQCDMQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.40
Rot. Bonds4

About [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine

[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine (PubChem CID 117182192) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine.

Molecular Properties

Compound Name[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
PubChem CID117182192
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
SMILESCNCc1cn(C(C)C)c2c(CN)cccc12
InChIInChI=1S/C14H21N3/c1-10(2)17-9-12(8-16-3)13-6-4-5-11(7-15)14(13)17/h4-6,9-10,16H,7-8,15H2,1-3H3
InChIKeyVVJRTPXAVQCDMQ-UHFFFAOYSA-N
XLogP2.40
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-(7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 22139134
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine?
The IUPAC name of [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine (CID 117182192) is [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine.
What is the SMILES notation for [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine?
The canonical SMILES for [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine is CNCc1cn(C(C)C)c2c(CN)cccc12.
What is the InChIKey of [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine?
The InChIKey is VVJRTPXAVQCDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)17-9-12(8-16-3)13-6-4-5-11(7-15)14(13)17/h4-6,9-10,16H,7-8,15H2,1-3H3.
What are the key properties of [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine?
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine is sourced from PubChem (CID 117182192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).