N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

C18H33NO — CID 106654062

IUPACN-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C1(C)CCCCO1
InChIInChI=1S/C18H33NO/c1-3-14-19-17(18(2)13-9-10-15-20-18)16-11-7-5-4-6-8-12-16/h11,17,19H,3-10,12-15H2,1-2H3
InChIKeyAWFRVPBHIKQMPS-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds5

About N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 106654062) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID106654062
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCCC1)C1(C)CCCCO1
InChIInChI=1S/C18H33NO/c1-3-14-19-17(18(2)13-9-10-15-20-18)16-11-7-5-4-6-8-12-16/h11,17,19H,3-10,12-15H2,1-2H3
InChIKeyAWFRVPBHIKQMPS-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
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

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CID 113860683
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N-[2-[2-[(1R,5R)-3,5-dimethylcyclohex-2-en-1-yl]ethoxy]ethyl]butan-1-amine
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CID 173193985
2-Dodecyl-2-prop-2-enylmorpholine
CID 21391577
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212634
N-[cyclopenten-1-yl(oxan-2-yl)methyl]ethanamine
CID 62212814
N-[cyclopenten-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 62212991
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CID 62213177

Frequently Asked Questions

What is the IUPAC name of N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 106654062) is N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCCC1)C1(C)CCCCO1.
What is the InChIKey of N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is AWFRVPBHIKQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-14-19-17(18(2)13-9-10-15-20-18)16-11-7-5-4-6-8-12-16/h11,17,19H,3-10,12-15H2,1-2H3.
What are the key properties of N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloocten-1-yl-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106654062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).