N-(7-methyloctyl)cyclooctanamine

C17H35N — CID 29032555

IUPACN-(7-methyloctyl)cyclooctanamine
SMILESCC(C)CCCCCCNC1CCCCCCC1
InChIInChI=1S/C17H35N/c1-16(2)12-8-6-7-11-15-18-17-13-9-4-3-5-10-14-17/h16-18H,3-15H2,1-2H3
InChIKeyJNDQDDKIMJODRP-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds8

About N-(7-methyloctyl)cyclooctanamine

N-(7-methyloctyl)cyclooctanamine (PubChem CID 29032555) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(7-methyloctyl)cyclooctanamine.

Molecular Properties

Compound NameN-(7-methyloctyl)cyclooctanamine
PubChem CID29032555
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(7-methyloctyl)cyclooctanamine
SMILESCC(C)CCCCCCNC1CCCCCCC1
InChIInChI=1S/C17H35N/c1-16(2)12-8-6-7-11-15-18-17-13-9-4-3-5-10-14-17/h16-18H,3-15H2,1-2H3
InChIKeyJNDQDDKIMJODRP-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-dodecylcyclohexanamine
CID 3679395
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
6-methylheptoxycyclohexane
CID 66984925
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)cyclooctanamine?
The IUPAC name of N-(7-methyloctyl)cyclooctanamine (CID 29032555) is N-(7-methyloctyl)cyclooctanamine.
What is the SMILES notation for N-(7-methyloctyl)cyclooctanamine?
The canonical SMILES for N-(7-methyloctyl)cyclooctanamine is CC(C)CCCCCCNC1CCCCCCC1.
What is the InChIKey of N-(7-methyloctyl)cyclooctanamine?
The InChIKey is JNDQDDKIMJODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-16(2)12-8-6-7-11-15-18-17-13-9-4-3-5-10-14-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-(7-methyloctyl)cyclooctanamine?
N-(7-methyloctyl)cyclooctanamine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)cyclooctanamine is sourced from PubChem (CID 29032555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).