1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine

C14H25NO — CID 116767594

IUPAC1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H25NO/c1-4-5-6-9-13(15)14(16-3)10-7-8-12(2)11-14/h1,12-13H,5-11,15H2,2-3H3
InChIKeyUVCADMSWPGGOML-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine

1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine (PubChem CID 116767594) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
PubChem CID116767594
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H25NO/c1-4-5-6-9-13(15)14(16-3)10-7-8-12(2)11-14/h1,12-13H,5-11,15H2,2-3H3
InChIKeyUVCADMSWPGGOML-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.71
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-Methoxy-3-methylcyclohexyl)methanamine
CID 15495984
4,4,4-Trifluoro-1-(1-methoxy-3-methylcyclohexyl)butan-1-amine
CID 116767555
5,5,5-Trifluoro-1-(1-methoxy-3-methylcyclohexyl)pentan-1-amine
CID 116767590
(3-Ethyl-1-methoxycyclohexyl)methanamine
CID 66070929
(1-Methoxy-3,5-dimethylcyclohexyl)methanamine
CID 66072377
1-(3,5-Dimethylcyclohexyl)-2-methoxy-2-methylpropan-1-amine
CID 79196839
1-Cyclohexyl-2-methoxy-2-methylpropan-1-amine
CID 79196958
2-Methoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-amine
CID 79197533
1-(3-Ethylcyclohexyl)-2-methoxy-2-methylpropan-1-amine
CID 79198473
1-Cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
2-Methoxy-2-methyloct-7-yn-3-amine
CID 104091997
1-(2-Methyloxan-2-yl)hex-5-yn-1-amine
CID 104092122

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine (CID 116767594) is 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine is C#CCCCC(N)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine?
The InChIKey is UVCADMSWPGGOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-9-13(15)14(16-3)10-7-8-12(2)11-14/h1,12-13H,5-11,15H2,2-3H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine?
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine is sourced from PubChem (CID 116767594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).