N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride

C13H17ClN2 — CID 115614559

IUPACN-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
SMILESCC1CC1NCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C13H16N2.ClH/c1-9-7-12(9)15-8-11-4-2-3-10-5-6-14-13(10)11;/h2-6,9,12,14-15H,7-8H2,1H3;1H
InChIKeyCSDKENSVDRIMNQ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.09
Rot. Bonds3

About N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride

N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride (PubChem CID 115614559) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
PubChem CID115614559
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC NameN-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
SMILESCC1CC1NCc1cccc2cc[nH]c12.Cl
InChIInChI=1S/C13H16N2.ClH/c1-9-7-12(9)15-8-11-4-2-3-10-5-6-14-13(10)11;/h2-6,9,12,14-15H,7-8H2,1H3;1H
InChIKeyCSDKENSVDRIMNQ-UHFFFAOYSA-N
XLogP3.09
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465
N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
CID 103701472
N-(1H-indol-7-ylmethyl)-1,1-dioxothian-4-amine
CID 102909509
[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
CID 103925415
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
(2S,3S)-N-(1H-indol-7-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128965783
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)-N-(1H-indol-7-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 142514226
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride (CID 115614559) is N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride is CC1CC1NCc1cccc2cc[nH]c12.Cl.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is CSDKENSVDRIMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-9-7-12(9)15-8-11-4-2-3-10-5-6-14-13(10)11;/h2-6,9,12,14-15H,7-8H2,1H3;1H.
What are the key properties of N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride?
N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 3.09, 3 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)-2-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 115614559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).