3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine

C11H19NO — CID 130674258

IUPAC3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine
SMILESC#CCONC1CC(C)CC(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h1,9-12H,5-8H2,2-3H3
InChIKeyATYJSFSLBFBEBV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.97
Rot. Bonds3

About 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine

3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine (PubChem CID 130674258) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine
PubChem CID130674258
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine
SMILESC#CCONC1CC(C)CC(C)C1
InChIInChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h1,9-12H,5-8H2,2-3H3
InChIKeyATYJSFSLBFBEBV-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynoxycyclopentanamine
CID 130671422
1-oxo-N-prop-2-ynoxythian-4-amine
CID 130857194
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
1-methyl-3-prop-2-ynoxycyclotetradecane
CID 123352998
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
CID 64733626
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
CID 64724437
2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
CID 144854044
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 130659104

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine (CID 130674258) is 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine is C#CCONC1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine?
The InChIKey is ATYJSFSLBFBEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-13-12-11-7-9(2)6-10(3)8-11/h1,9-12H,5-8H2,2-3H3.
What are the key properties of 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine?
3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine is sourced from PubChem (CID 130674258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).