N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine

C16H31NO — CID 114207979

IUPACN-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCOC1C1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-2-11-17-13-15-10-12-18-16(15)14-8-6-4-3-5-7-9-14/h14-17H,2-13H2,1H3
InChIKeyVWXVXGVEJUCYKK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine

N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114207979) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114207979
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCOC1C1CCCCCCC1
InChIInChI=1S/C16H31NO/c1-2-11-17-13-15-10-12-18-16(15)14-8-6-4-3-5-7-9-14/h14-17H,2-13H2,1H3
InChIKeyVWXVXGVEJUCYKK-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 79365980
N-[(2-cyclopentyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79367525
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine
CID 79364991
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81028730
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 106534593

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine (CID 114207979) is N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine is CCCNCC1CCOC1C1CCCCCCC1.
What is the InChIKey of N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is VWXVXGVEJUCYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-11-17-13-15-10-12-18-16(15)14-8-6-4-3-5-7-9-14/h14-17H,2-13H2,1H3.
What are the key properties of N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine?
N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114207979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).