3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine

C14H29N — CID 64502569

IUPAC3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
SMILESCCC1CCCCC1CCCNC(C)C
InChIInChI=1S/C14H29N/c1-4-13-8-5-6-9-14(13)10-7-11-15-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyHFLCUUMHKBCDKS-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine

3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine (PubChem CID 64502569) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
PubChem CID64502569
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
SMILESCCC1CCCCC1CCCNC(C)C
InChIInChI=1S/C14H29N/c1-4-13-8-5-6-9-14(13)10-7-11-15-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyHFLCUUMHKBCDKS-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine
CID 63861330
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
1-butyl-2-ethylcyclopentane
CID 522474
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
CID 160611346
CID 160611346
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine
CID 81005326
2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
CID 115894897

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine (CID 64502569) is 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine is CCC1CCCCC1CCCNC(C)C.
What is the InChIKey of 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is HFLCUUMHKBCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-13-8-5-6-9-14(13)10-7-11-15-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine?
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64502569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).