4-ethyl-N-hex-5-ynylcyclohexan-1-amine

C14H25N — CID 115694178

IUPAC4-ethyl-N-hex-5-ynylcyclohexan-1-amine
SMILESC#CCCCCNC1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h1,13-15H,4-12H2,2H3
InChIKeyWRPZSAWONZXALM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.35
Rot. Bonds6

About 4-ethyl-N-hex-5-ynylcyclohexan-1-amine

4-ethyl-N-hex-5-ynylcyclohexan-1-amine (PubChem CID 115694178) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-ethyl-N-hex-5-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-hex-5-ynylcyclohexan-1-amine
PubChem CID115694178
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-ethyl-N-hex-5-ynylcyclohexan-1-amine
SMILESC#CCCCCNC1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h1,13-15H,4-12H2,2H3
InChIKeyWRPZSAWONZXALM-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81029586
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hex-5-ynylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-hex-5-ynylcyclohexan-1-amine (CID 115694178) is 4-ethyl-N-hex-5-ynylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-hex-5-ynylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-hex-5-ynylcyclohexan-1-amine is C#CCCCCNC1CCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-hex-5-ynylcyclohexan-1-amine?
The InChIKey is WRPZSAWONZXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h1,13-15H,4-12H2,2H3.
What are the key properties of 4-ethyl-N-hex-5-ynylcyclohexan-1-amine?
4-ethyl-N-hex-5-ynylcyclohexan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hex-5-ynylcyclohexan-1-amine is sourced from PubChem (CID 115694178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).