N-hexan-2-yl-2,4,4-trimethylpentan-2-amine

C14H31N — CID 43788200

IUPACN-hexan-2-yl-2,4,4-trimethylpentan-2-amine
SMILESCCCCC(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-9-10-12(2)15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3
InChIKeyYYYQWMYZJYSMRB-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds6

About N-hexan-2-yl-2,4,4-trimethylpentan-2-amine

N-hexan-2-yl-2,4,4-trimethylpentan-2-amine (PubChem CID 43788200) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-hexan-2-yl-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-hexan-2-yl-2,4,4-trimethylpentan-2-amine
PubChem CID43788200
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-hexan-2-yl-2,4,4-trimethylpentan-2-amine
SMILESCCCCC(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-9-10-12(2)15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3
InChIKeyYYYQWMYZJYSMRB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine
CID 63445485
1-(2,4,4-trimethylpentan-2-ylamino)butan-1-ol
CID 154119880
N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
CID 107887400
1-(2-ethylhexyl)-2-(2,4,4-trimethylpentan-2-yl)hydrazine
CID 57014442
2-cyclopropyl-2-(hexan-2-ylamino)propan-1-ol
CID 115927781
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-[4-(4-methoxyphenyl)butan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 43788172
2-(heptan-2-ylamino)-2-methylbutan-1-ol
CID 111434889
1-[(2S)-hexan-2-yl]-2-methylhydrazine
CID 163472766
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
2-(hexan-2-ylamino)-2-propylpentanoic acid
CID 114999896
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-hexan-2-yl-2,4,4-trimethylpentan-2-amine (CID 43788200) is N-hexan-2-yl-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-hexan-2-yl-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-hexan-2-yl-2,4,4-trimethylpentan-2-amine is CCCCC(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-hexan-2-yl-2,4,4-trimethylpentan-2-amine?
The InChIKey is YYYQWMYZJYSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-8-9-10-12(2)15-14(6,7)11-13(3,4)5/h12,15H,8-11H2,1-7H3.
What are the key properties of N-hexan-2-yl-2,4,4-trimethylpentan-2-amine?
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43788200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).