N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine

C16H33N — CID 43434257

IUPACN-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
SMILESCC(C)(C)CC(C)(C)NC1CCCCCCC1
InChIInChI=1S/C16H33N/c1-15(2,3)13-16(4,5)17-14-11-9-7-6-8-10-12-14/h14,17H,6-13H2,1-5H3
InChIKeyHCCZBAWHGUBRQH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.90
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine

N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine (PubChem CID 43434257) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
PubChem CID43434257
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
SMILESCC(C)(C)CC(C)(C)NC1CCCCCCC1
InChIInChI=1S/C16H33N/c1-15(2,3)13-16(4,5)17-14-11-9-7-6-8-10-12-14/h14,17H,6-13H2,1-5H3
InChIKeyHCCZBAWHGUBRQH-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
1-cyclohexyl-2-(2,4,4-trimethylpentan-2-yl)hydrazine
CID 143304936
N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
CID 82937251
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526259
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
N-cyclopentyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108505980
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 112681988
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
N,N-dimethyl-4-(2,4,4-trimethylpentan-2-ylamino)piperidine-1-carboxamide
CID 83262362

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine (CID 43434257) is N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine is CC(C)(C)CC(C)(C)NC1CCCCCCC1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine?
The InChIKey is HCCZBAWHGUBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)13-16(4,5)17-14-11-9-7-6-8-10-12-14/h14,17H,6-13H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine?
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine has a molecular weight of 239.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine is sourced from PubChem (CID 43434257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).