N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine

C16H17N3 — CID 116986165

IUPACN-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
SMILESCn1c2ccncc2c2ccc(CNC3CC3)cc21
InChIInChI=1S/C16H17N3/c1-19-15-6-7-17-10-14(15)13-5-2-11(8-16(13)19)9-18-12-3-4-12/h2,5-8,10,12,18H,3-4,9H2,1H3
InChIKeyYBHNZWUAOPKBHL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.98
Rot. Bonds3

About N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine

N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine (PubChem CID 116986165) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
PubChem CID116986165
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine
SMILESCn1c2ccncc2c2ccc(CNC3CC3)cc21
InChIInChI=1S/C16H17N3/c1-19-15-6-7-17-10-14(15)13-5-2-11(8-16(13)19)9-18-12-3-4-12/h2,5-8,10,12,18H,3-4,9H2,1H3
InChIKeyYBHNZWUAOPKBHL-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
CID 137418675
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]cyclopropanamine
CID 81448066
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
CID 107037982
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine (CID 116986165) is N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine is Cn1c2ccncc2c2ccc(CNC3CC3)cc21.
What is the InChIKey of N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine?
The InChIKey is YBHNZWUAOPKBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19-15-6-7-17-10-14(15)13-5-2-11(8-16(13)19)9-18-12-3-4-12/h2,5-8,10,12,18H,3-4,9H2,1H3.
What are the key properties of N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine?
N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrido[4,3-b]indol-7-yl)methyl]cyclopropanamine is sourced from PubChem (CID 116986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).