1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine

C16H29NO — CID 116771722

IUPAC1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
SMILESC#CCCCC(NCC)C(OC)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-4-6-8-13-15(17-5-2)16(18-3)14-11-9-7-10-12-14/h1,14-17H,5-13H2,2-3H3
InChIKeyWNKFJUDXOBRRBJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine

1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine (PubChem CID 116771722) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
PubChem CID116771722
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
SMILESC#CCCCC(NCC)C(OC)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-4-6-8-13-15(17-5-2)16(18-3)14-11-9-7-10-12-14/h1,14-17H,5-13H2,2-3H3
InChIKeyWNKFJUDXOBRRBJ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116722520
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
CID 116772242
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
(1-cyclohexyl-1-methoxynonan-2-yl)hydrazine
CID 105278607
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
CID 116771723
1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 116772369
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine (CID 116771722) is 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine is C#CCCCC(NCC)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The InChIKey is WNKFJUDXOBRRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-6-8-13-15(17-5-2)16(18-3)14-11-9-7-10-12-14/h1,14-17H,5-13H2,2-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine is sourced from PubChem (CID 116771722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).