N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine

C14H28N2 — CID 43272229

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1CC2CCCCC2N1
InChIInChI=1S/C14H28N2/c1-11(2)9-16(3)10-13-8-12-6-4-5-7-14(12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyKFNSMFWXBVVEOV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine (PubChem CID 43272229) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
PubChem CID43272229
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CC1CC2CCCCC2N1
InChIInChI=1S/C14H28N2/c1-11(2)9-16(3)10-13-8-12-6-4-5-7-14(12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyKFNSMFWXBVVEOV-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine with MolForge

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Related Compounds

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CID 43572228
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-methylsulfonylethanamine
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CID 61413648
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CID 65487131
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CID 66470216
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82960788
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CID 55227896
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine (CID 43272229) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine is CC(C)CN(C)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine?
The InChIKey is KFNSMFWXBVVEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)9-16(3)10-13-8-12-6-4-5-7-14(12)15-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 43272229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).