1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine

C16H29N — CID 65395607

IUPAC1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1CCC(CC)CC1
InChIInChI=1S/C16H29N/c1-4-7-8-16(17-13-5-2)15-11-9-14(6-3)10-12-15/h1,14-17H,5-13H2,2-3H3
InChIKeySEZDABBRKQZDFL-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds7

About 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine

1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine (PubChem CID 65395607) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
PubChem CID65395607
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1CCC(CC)CC1
InChIInChI=1S/C16H29N/c1-4-7-8-16(17-13-5-2)15-11-9-14(6-3)10-12-15/h1,14-17H,5-13H2,2-3H3
InChIKeySEZDABBRKQZDFL-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
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

1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
CID 115859664
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine (CID 65395607) is 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine?
The InChIKey is SEZDABBRKQZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-7-8-16(17-13-5-2)15-11-9-14(6-3)10-12-15/h1,14-17H,5-13H2,2-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine?
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 65395607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).