1-(1-methoxycyclohexyl)prop-2-yn-1-amine

C10H17NO — CID 116762592

IUPAC1-(1-methoxycyclohexyl)prop-2-yn-1-amine
SMILESC#CC(N)C1(OC)CCCCC1
InChIInChI=1S/C10H17NO/c1-3-9(11)10(12-2)7-5-4-6-8-10/h1,9H,4-8,11H2,2H3
InChIKeyCGLGRBCHUAHWOX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.30
Rot. Bonds2

About 1-(1-methoxycyclohexyl)prop-2-yn-1-amine

1-(1-methoxycyclohexyl)prop-2-yn-1-amine (PubChem CID 116762592) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)prop-2-yn-1-amine
PubChem CID116762592
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-methoxycyclohexyl)prop-2-yn-1-amine
SMILESC#CC(N)C1(OC)CCCCC1
InChIInChI=1S/C10H17NO/c1-3-9(11)10(12-2)7-5-4-6-8-10/h1,9H,4-8,11H2,2H3
InChIKeyCGLGRBCHUAHWOX-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.30
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-(1-methoxycyclohexyl)prop-2-ynylhydrazine
CID 105276008
1-(1-methoxycyclopentyl)prop-2-ynylhydrazine
CID 105268683
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
1-(1-methoxycyclohexyl)prop-2-en-1-amine
CID 116762563
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
CID 116770145
1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine
CID 116769785
1-(1-methoxycyclopentyl)prop-2-en-1-amine
CID 104610553
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
2-cyclobutyl-1-(1-methoxycyclohexyl)ethanamine
CID 116762657
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)prop-2-yn-1-amine?
The IUPAC name of 1-(1-methoxycyclohexyl)prop-2-yn-1-amine (CID 116762592) is 1-(1-methoxycyclohexyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)prop-2-yn-1-amine?
The canonical SMILES for 1-(1-methoxycyclohexyl)prop-2-yn-1-amine is C#CC(N)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)prop-2-yn-1-amine?
The InChIKey is CGLGRBCHUAHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(11)10(12-2)7-5-4-6-8-10/h1,9H,4-8,11H2,2H3.
What are the key properties of 1-(1-methoxycyclohexyl)prop-2-yn-1-amine?
1-(1-methoxycyclohexyl)prop-2-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)prop-2-yn-1-amine is sourced from PubChem (CID 116762592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).