1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine

C16H28N2 — CID 102907888

IUPAC1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(C)C(Cn1ccc2c1CCCC2N)C(C)C
InChIInChI=1S/C16H28N2/c1-11(2)14(12(3)4)10-18-9-8-13-15(17)6-5-7-16(13)18/h8-9,11-12,14-15H,5-7,10,17H2,1-4H3
InChIKeyKFSVUAYNKPVMHE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine

1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 102907888) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID102907888
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCC(C)C(Cn1ccc2c1CCCC2N)C(C)C
InChIInChI=1S/C16H28N2/c1-11(2)14(12(3)4)10-18-9-8-13-15(17)6-5-7-16(13)18/h8-9,11-12,14-15H,5-7,10,17H2,1-4H3
InChIKeyKFSVUAYNKPVMHE-UHFFFAOYSA-N
XLogP3.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63960650
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63712868
1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 63925154
1-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63826901
(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97053083
1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
CID 114125100
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 79237972
1-[(2-methylthiolan-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 80724304
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
3-[2-(4-amino-4,5,6,7-tetrahydroindol-1-yl)ethyl]-1,1-dimethylurea
CID 83114674
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 63362626
5-amino-1-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 106727364

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine (CID 102907888) is 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine is CC(C)C(Cn1ccc2c1CCCC2N)C(C)C.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is KFSVUAYNKPVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)14(12(3)4)10-18-9-8-13-15(17)6-5-7-16(13)18/h8-9,11-12,14-15H,5-7,10,17H2,1-4H3.
What are the key properties of 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 248.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbutyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 102907888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).