2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine

C14H28N2 — CID 82750739

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCC2CCCCC21
InChIInChI=1S/C14H28N2/c1-11(2)13(9-15)10-16-8-7-12-5-3-4-6-14(12)16/h11-14H,3-10,15H2,1-2H3
InChIKeyDZKMQXVZBMIEBF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine (PubChem CID 82750739) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine
PubChem CID82750739
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCC2CCCCC21
InChIInChI=1S/C14H28N2/c1-11(2)13(9-15)10-16-8-7-12-5-3-4-6-14(12)16/h11-14H,3-10,15H2,1-2H3
InChIKeyDZKMQXVZBMIEBF-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylbutan-1-amine
CID 65232654
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)butan-1-amine
CID 65228222
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropanehydrazide
CID 82752286
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine (CID 82750739) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine is CC(C)C(CN)CN1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine?
The InChIKey is DZKMQXVZBMIEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)13(9-15)10-16-8-7-12-5-3-4-6-14(12)16/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 82750739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).