1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine

C15H27NO — CID 116772242

IUPAC1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
SMILESC#CCCC(NC)C(OCC)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-6-12-14(16-3)15(17-5-2)13-10-8-7-9-11-13/h1,13-16H,5-12H2,2-3H3
InChIKeyNADQFYJPTWDQOD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine

1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine (PubChem CID 116772242) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
PubChem CID116772242
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
SMILESC#CCCC(NC)C(OCC)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-4-6-12-14(16-3)15(17-5-2)13-10-8-7-9-11-13/h1,13-16H,5-12H2,2-3H3
InChIKeyNADQFYJPTWDQOD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
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-methylpent-4-yn-2-amine
CID 116772246
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
2-ethoxy-N-methylhept-6-yn-3-amine
CID 64532782
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
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-cyclopropyl-1-ethoxyhept-6-yn-2-ol
CID 116712756

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine (CID 116772242) is 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine is C#CCCC(NC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine?
The InChIKey is NADQFYJPTWDQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-12-14(16-3)15(17-5-2)13-10-8-7-9-11-13/h1,13-16H,5-12H2,2-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine?
1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 7 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-methylhex-5-yn-2-amine is sourced from PubChem (CID 116772242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).