N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine

C14H25NO — CID 62077835

IUPACN-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO/c1-2-9-15-14(13-8-10-16-11-13)12-6-4-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyVQUPHNUKASTSER-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine

N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 62077835) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
PubChem CID62077835
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO/c1-2-9-15-14(13-8-10-16-11-13)12-6-4-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyVQUPHNUKASTSER-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine (CID 62077835) is N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1CCOC1.
What is the InChIKey of N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is VQUPHNUKASTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-9-15-14(13-8-10-16-11-13)12-6-4-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62077835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).