N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine

C15H27NO — CID 62078217

IUPACN-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C15H27NO/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3
InChIKeyYGBJZKQHKGDGEW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds5

About N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 62078217) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
PubChem CID62078217
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C15H27NO/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3
InChIKeyYGBJZKQHKGDGEW-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207523
N-[1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207525
1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine
CID 123543765
(4Z)-4-propylidene-2-pyrrolidin-2-yloxane-3-thione
CID 123883240
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-[cyclohepten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 55119665
(1,5-Dimethyl-4-hexen-1-yl)[4-(tetrahydro-2-furanyl)butyl]amine trifluoroacetate
CID 56855161
2-(cyclohexen-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 60692039
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62077854
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078549
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078709

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine (CID 62078217) is N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)C1CCCO1.
What is the InChIKey of N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is YGBJZKQHKGDGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62078217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).