N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine

C17H24N2 — CID 102911435

IUPACN-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H24N2/c1-17(2)9-4-3-5-16(17)19-12-13-6-7-15-14(11-13)8-10-18-15/h6-8,10-11,16,18-19H,3-5,9,12H2,1-2H3
InChIKeyZCHUNFCFENSPLK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.23
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine

N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 102911435) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID102911435
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H24N2/c1-17(2)9-4-3-5-16(17)19-12-13-6-7-15-14(11-13)8-10-18-15/h6-8,10-11,16,18-19H,3-5,9,12H2,1-2H3
InChIKeyZCHUNFCFENSPLK-UHFFFAOYSA-N
XLogP4.23
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 79861656
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787693
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 102911435) is N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ZCHUNFCFENSPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2)9-4-3-5-16(17)19-12-13-6-7-15-14(11-13)8-10-18-15/h6-8,10-11,16,18-19H,3-5,9,12H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102911435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).