1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine

C14H18N2 — CID 62332415

IUPAC1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-2-7-14-13(6-1)12(10-16-14)9-15-8-11-4-3-5-11/h1-2,6-7,10-11,15-16H,3-5,8-9H2
InChIKeyJGHUJDHMKOHKER-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine

1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine (PubChem CID 62332415) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
PubChem CID62332415
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-2-7-14-13(6-1)12(10-16-14)9-15-8-11-4-3-5-11/h1-2,6-7,10-11,15-16H,3-5,8-9H2
InChIKeyJGHUJDHMKOHKER-UHFFFAOYSA-N
XLogP3.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
(1H-indol-3-ylmethylamino)methanol
CID 115228988
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
CID 63295277
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 71932055
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine (CID 62332415) is 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine is c1ccc2c(CNCC3CCC3)c[nH]c2c1.
What is the InChIKey of 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine?
The InChIKey is JGHUJDHMKOHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-7-14-13(6-1)12(10-16-14)9-15-8-11-4-3-5-11/h1-2,6-7,10-11,15-16H,3-5,8-9H2.
What are the key properties of 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine?
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine is sourced from PubChem (CID 62332415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).