1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine

C15H27NO — CID 63953750

IUPAC1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c16-15(13-7-3-1-2-4-8-13)11-10-14-9-5-6-12-17-14/h7,14-15H,1-6,8-12,16H2
InChIKeyYPLYVOSPUZMLSA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.55
Rot. Bonds4

About 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine

1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63953750) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63953750
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c16-15(13-7-3-1-2-4-8-13)11-10-14-9-5-6-12-17-14/h7,14-15H,1-6,8-12,16H2
InChIKeyYPLYVOSPUZMLSA-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.55
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

3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohept-2-en-1-amine
CID 113952617
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
Cyclohexen-1-yl(oxan-2-yl)methanamine
CID 62212632
Cyclopenten-1-yl(oxan-2-yl)methanamine
CID 62212812
Cyclohepten-1-yl(oxan-2-yl)methanamine
CID 62212992
Cyclohepten-1-yl(1,4-dioxan-2-yl)methanamine
CID 62803653
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
1-(Cyclohexen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953140
1-(cyclohexen-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953341

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine (CID 63953750) is 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is YPLYVOSPUZMLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c16-15(13-7-3-1-2-4-8-13)11-10-14-9-5-6-12-17-14/h7,14-15H,1-6,8-12,16H2.
What are the key properties of 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine?
1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63953750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).