N-tert-butyl-2,5,5-trimethylhexan-1-amine

C13H29N — CID 62529296

IUPACN-tert-butyl-2,5,5-trimethylhexan-1-amine
SMILESCC(CCC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(8-9-12(2,3)4)10-14-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyIKZOXYRXNLZWRG-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds4

About N-tert-butyl-2,5,5-trimethylhexan-1-amine

N-tert-butyl-2,5,5-trimethylhexan-1-amine (PubChem CID 62529296) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-2,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,5,5-trimethylhexan-1-amine
PubChem CID62529296
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-2,5,5-trimethylhexan-1-amine
SMILESCC(CCC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(8-9-12(2,3)4)10-14-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyIKZOXYRXNLZWRG-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methylpentan-1-amine
CID 43200440
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
N-tert-butyl-2-ethyl-5,5-dimethylhexan-1-amine
CID 63522763
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
2,5,5-trimethylhexan-1-ol
CID 3020914
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
N-tert-butyl-4-(2,6-dichlorophenyl)-2-methylbutan-1-amine
CID 64664799
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 170276142
(2S)-N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenyl]-2-methylpropan-1-amine
CID 177124154
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
CID 79184555

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5,5-trimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-2,5,5-trimethylhexan-1-amine (CID 62529296) is N-tert-butyl-2,5,5-trimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2,5,5-trimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2,5,5-trimethylhexan-1-amine is CC(CCC(C)(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,5,5-trimethylhexan-1-amine?
The InChIKey is IKZOXYRXNLZWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(8-9-12(2,3)4)10-14-13(5,6)7/h11,14H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-2,5,5-trimethylhexan-1-amine?
N-tert-butyl-2,5,5-trimethylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 62529296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).