N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine

C14H31N — CID 156542499

IUPACN-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(9-10-13(2,3)4)15(8)11-14(5,6)7/h12H,9-11H2,1-8H3
InChIKeyUZIKGMMBDKYPMT-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine

N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine (PubChem CID 156542499) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
PubChem CID156542499
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(9-10-13(2,3)4)15(8)11-14(5,6)7/h12H,9-11H2,1-8H3
InChIKeyUZIKGMMBDKYPMT-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine (CID 156542499) is N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine is CC(CCC(C)(C)C)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine?
The InChIKey is UZIKGMMBDKYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-12(9-10-13(2,3)4)15(8)11-14(5,6)7/h12H,9-11H2,1-8H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine?
N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine is sourced from PubChem (CID 156542499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).