N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine

C13H25NO2 — CID 106653818

IUPACN-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OC)OC
InChIInChI=1S/C13H25NO2/c1-4-10-14-12(13(15-2)16-3)11-8-6-5-7-9-11/h8,12-14H,4-7,9-10H2,1-3H3
InChIKeyLBSUXZLOBGHHRQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds7

About N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine

N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 106653818) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID106653818
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OC)OC
InChIInChI=1S/C13H25NO2/c1-4-10-14-12(13(15-2)16-3)11-8-6-5-7-9-11/h8,12-14H,4-7,9-10H2,1-3H3
InChIKeyLBSUXZLOBGHHRQ-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
1-(cyclohepten-1-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 113422022
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
CID 106654431
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 106654785
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
CID 63505814
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine (CID 106653818) is N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(C1=CCCCC1)C(OC)OC.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is LBSUXZLOBGHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-10-14-12(13(15-2)16-3)11-8-6-5-7-9-11/h8,12-14H,4-7,9-10H2,1-3H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 106653818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).