1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine

C17H26N2 — CID 102661602

IUPAC1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2CC1CCCCC1
InChIInChI=1S/C17H26N2/c1-13(18)15-7-8-17-16(11-15)9-10-19(17)12-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12,18H2,1H3
InChIKeyQHMKENOQOHNJIF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.65
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine

1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661602) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661602
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2CC1CCCCC1
InChIInChI=1S/C17H26N2/c1-13(18)15-7-8-17-16(11-15)9-10-19(17)12-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12,18H2,1H3
InChIKeyQHMKENOQOHNJIF-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
CID 117118942
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
CID 117118731
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661787
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040763

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661602) is 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine is CC(N)c1ccc2c(c1)CCN2CC1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is QHMKENOQOHNJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(18)15-7-8-17-16(11-15)9-10-19(17)12-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12,18H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine?
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).