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

C16H29NO — CID 62213177

IUPACN-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCCO1
InChIInChI=1S/C16H29NO/c1-2-12-17-16(15-11-7-8-13-18-15)14-9-5-3-4-6-10-14/h9,15-17H,2-8,10-13H2,1H3
InChIKeyFXBLVDDMDABOCD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds5

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

N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine (PubChem CID 62213177) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine
PubChem CID62213177
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)C1CCCCO1
InChIInChI=1S/C16H29NO/c1-2-12-17-16(15-11-7-8-13-18-15)14-9-5-3-4-6-10-14/h9,15-17H,2-8,10-13H2,1H3
InChIKeyFXBLVDDMDABOCD-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
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-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207520
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-(cyclohepten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654846
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654847
N-[1-(cyclohepten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654849
N-[1-(cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654850
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
CID 22091473
(1R,5R,6R)-3-methyl-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-2-ene
CID 58047989

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine (CID 62213177) is N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)C1CCCCO1.
What is the InChIKey of N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine?
The InChIKey is FXBLVDDMDABOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-12-17-16(15-11-7-8-13-18-15)14-9-5-3-4-6-10-14/h9,15-17H,2-8,10-13H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl(oxan-2-yl)methyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 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(oxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62213177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).