N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine

C16H33NO — CID 114207698

IUPACN-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCC1CCCCCCC1
InChIInChI=1S/C16H33NO/c1-15(2)14-18-12-8-11-17-13-16-9-6-4-3-5-7-10-16/h15-17H,3-14H2,1-2H3
InChIKeySMOGVYJSJMTGSK-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine

N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine (PubChem CID 114207698) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
PubChem CID114207698
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCC1CCCCCCC1
InChIInChI=1S/C16H33NO/c1-15(2)14-18-12-8-11-17-13-16-9-6-4-3-5-7-10-16/h15-17H,3-14H2,1-2H3
InChIKeySMOGVYJSJMTGSK-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
2-[3-(cycloheptylmethylamino)propoxy]ethanol
CID 103992574
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
CID 106306091
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62632435
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
CID 70064203

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine (CID 114207698) is N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is SMOGVYJSJMTGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2)14-18-12-8-11-17-13-16-9-6-4-3-5-7-10-16/h15-17H,3-14H2,1-2H3.
What are the key properties of N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine?
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 114207698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).