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

C15H31N — CID 43434260

IUPACN-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
SMILESCC(C)(C)CC(C)(C)NC1CCCCCC1
InChIInChI=1S/C15H31N/c1-14(2,3)12-15(4,5)16-13-10-8-6-7-9-11-13/h13,16H,6-12H2,1-5H3
InChIKeyDVSMTZGXDQJSPR-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.51
Rot. Bonds3

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

N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine (PubChem CID 43434260) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
PubChem CID43434260
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
SMILESCC(C)(C)CC(C)(C)NC1CCCCCC1
InChIInChI=1S/C15H31N/c1-14(2,3)12-15(4,5)16-13-10-8-6-7-9-11-13/h13,16H,6-12H2,1-5H3
InChIKeyDVSMTZGXDQJSPR-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
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)cycloheptanamine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine (CID 43434260) is N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine is CC(C)(C)CC(C)(C)NC1CCCCCC1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine?
The InChIKey is DVSMTZGXDQJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2,3)12-15(4,5)16-13-10-8-6-7-9-11-13/h13,16H,6-12H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine?
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine has a molecular weight of 225.42 g/mol, XLogP of 4.51, 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)cycloheptanamine is sourced from PubChem (CID 43434260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).