N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine

C14H25N — CID 65394787

IUPACN-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-4-7-14(15-6-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3
InChIKeyIREUPZDDEYVEEU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine

N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine (PubChem CID 65394787) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
PubChem CID65394787
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-4-7-14(15-6-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3
InChIKeyIREUPZDDEYVEEU-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)but-3-yn-1-amine
CID 62233351
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
CID 65414993
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 79092545
N-ethyl-1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575007
1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
1-(4-butylcyclohexyl)but-3-ynylhydrazine
CID 105281413
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine (CID 65394787) is N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine is C#CCC(NCC)C1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine?
The InChIKey is IREUPZDDEYVEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-7-14(15-6-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3.
What are the key properties of N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine?
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine is sourced from PubChem (CID 65394787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).