N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride

C14H19ClN2 — CID 115607465

IUPACN-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1CC1CNCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C14H18N2.ClH/c1-10-7-13(10)9-15-8-12-4-2-3-11-5-6-16-14(11)12;/h2-6,10,13,15-16H,7-9H2,1H3;1H
InChIKeyWBYUTZLXQIFKNX-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.34
Rot. Bonds4

About N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride

N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride (PubChem CID 115607465) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
PubChem CID115607465
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
SMILESCC1CC1CNCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C14H18N2.ClH/c1-10-7-13(10)9-15-8-12-4-2-3-11-5-6-16-14(11)12;/h2-6,10,13,15-16H,7-9H2,1H3;1H
InChIKeyWBYUTZLXQIFKNX-UHFFFAOYSA-N
XLogP3.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
CID 115614559
[2-[(1H-indol-7-ylmethylamino)methyl]cyclopentyl]methanol
CID 102911296
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
2-cyclobutyl-N-(1H-indol-7-ylmethyl)ethanamine
CID 103748737
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728
[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
CID 103925415
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
1-(1H-indol-7-yl)-2-[(2S)-2-methylcyclopropyl]ethanone
CID 137386102
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The IUPAC name of N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride (CID 115607465) is N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride is CC1CC1CNCc1cccc2cc[nH]c12.Cl.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
The InChIKey is WBYUTZLXQIFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-10-7-13(10)9-15-8-12-4-2-3-11-5-6-16-14(11)12;/h2-6,10,13,15-16H,7-9H2,1H3;1H.
What are the key properties of N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride?
N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 115607465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).