1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine

C14H25NO — CID 116772246

IUPAC1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine
SMILESC#CCC(NC)C(OCC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-9-13(15-3)14(16-5-2)12-10-7-6-8-11-12/h1,12-15H,5-11H2,2-3H3
InChIKeyOQYAYRWCRSFMRF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds6

About 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine

1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine (PubChem CID 116772246) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine
PubChem CID116772246
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine
SMILESC#CCC(NC)C(OCC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-4-9-13(15-3)14(16-5-2)12-10-7-6-8-11-12/h1,12-15H,5-11H2,2-3H3
InChIKeyOQYAYRWCRSFMRF-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
CID 116772242
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-cyclopropyl-1,3-diethoxy-N-methylpropan-2-amine
CID 116723302
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-cyclohexyl-1-ethoxy-3-(furan-2-yl)-N-methylpropan-2-amine
CID 116772218
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine (CID 116772246) is 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine is C#CCC(NC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine?
The InChIKey is OQYAYRWCRSFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-9-13(15-3)14(16-5-2)12-10-7-6-8-11-12/h1,12-15H,5-11H2,2-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine?
1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine is sourced from PubChem (CID 116772246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).