N-tert-butyl-2,3-dimethylheptan-2-amine

C13H29N — CID 134186081

IUPACN-tert-butyl-2,3-dimethylheptan-2-amine
SMILESCCCCC(C)C(C)(C)NC(C)(C)C
InChIInChI=1S/C13H29N/c1-8-9-10-11(2)13(6,7)14-12(3,4)5/h11,14H,8-10H2,1-7H3
InChIKeyZKDZCHHOWOJBEY-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds5

About N-tert-butyl-2,3-dimethylheptan-2-amine

N-tert-butyl-2,3-dimethylheptan-2-amine (PubChem CID 134186081) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethylheptan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethylheptan-2-amine
PubChem CID134186081
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-2,3-dimethylheptan-2-amine
SMILESCCCCC(C)C(C)(C)NC(C)(C)C
InChIInChI=1S/C13H29N/c1-8-9-10-11(2)13(6,7)14-12(3,4)5/h11,14H,8-10H2,1-7H3
InChIKeyZKDZCHHOWOJBEY-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
3-hydroxy-3,4-dimethyloctan-2-one
CID 87291825
3-ethyl-2,3,4-trimethyloctane
CID 57491124
4-ethyl-3,3,4,5-tetramethylnonane
CID 123665887
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
2,2,3-trimethylundecane
CID 21285055
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
methyl 2,2,3-trimethylheptanoate
CID 87200659
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
hexane;2,2,4-trimethyloctane
CID 174278610
5,5-dimethylnonane;5-methylnonane
CID 158755954

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethylheptan-2-amine?
The IUPAC name of N-tert-butyl-2,3-dimethylheptan-2-amine (CID 134186081) is N-tert-butyl-2,3-dimethylheptan-2-amine.
What is the SMILES notation for N-tert-butyl-2,3-dimethylheptan-2-amine?
The canonical SMILES for N-tert-butyl-2,3-dimethylheptan-2-amine is CCCCC(C)C(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,3-dimethylheptan-2-amine?
The InChIKey is ZKDZCHHOWOJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-9-10-11(2)13(6,7)14-12(3,4)5/h11,14H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-2,3-dimethylheptan-2-amine?
N-tert-butyl-2,3-dimethylheptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethylheptan-2-amine is sourced from PubChem (CID 134186081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).