1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine

C15H26N2 — CID 63925154

IUPAC1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(C)CCC(C)n1ccc2c1CCCC2N
InChIInChI=1S/C15H26N2/c1-11(2)7-8-12(3)17-10-9-13-14(16)5-4-6-15(13)17/h9-12,14H,4-8,16H2,1-3H3
InChIKeyRVJPCVJINNTKDX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.82
Rot. Bonds4

About 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine

1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63925154) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63925154
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(C)CCC(C)n1ccc2c1CCCC2N
InChIInChI=1S/C15H26N2/c1-11(2)7-8-12(3)17-10-9-13-14(16)5-4-6-15(13)17/h9-12,14H,4-8,16H2,1-3H3
InChIKeyRVJPCVJINNTKDX-UHFFFAOYSA-N
XLogP3.82
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
N,N-Dimethyltryptamine
CID 6089
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
Lanicemine
CID 9794203

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine (CID 63925154) is 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine is CC(C)CCC(C)n1ccc2c1CCCC2N.
What is the InChIKey of 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is RVJPCVJINNTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)7-8-12(3)17-10-9-13-14(16)5-4-6-15(13)17/h9-12,14H,4-8,16H2,1-3H3.
What are the key properties of 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine?
1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 234.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63925154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).