N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine

C14H29N — CID 107450581

IUPACN-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-5-9-15-12(4)14-8-6-7-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyRYPFDWXJTMNKOB-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine

N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine (PubChem CID 107450581) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine
PubChem CID107450581
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-5-9-15-12(4)14-8-6-7-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyRYPFDWXJTMNKOB-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2-Cyclohexylethyl)(methyl)amine
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N-(2-Ethylhexyl)cyclohexanamine
CID 221524
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
N,4-Dimethylcyclohexanamine
CID 4962029
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Propylhexedrine hydrochloride, (S)-
CID 111166

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine (CID 107450581) is N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine is CCCNC(C)C1CCCC(C(C)C)C1.
What is the InChIKey of N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is RYPFDWXJTMNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-9-15-12(4)14-8-6-7-13(10-14)11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 107450581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).