N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine

C14H31N — CID 104828083

IUPACN-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-7-9-10-13(8-2)11-15-12(3)14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyBYILJHJWZRQFKD-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds7

About N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine

N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine (PubChem CID 104828083) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
PubChem CID104828083
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-7-9-10-13(8-2)11-15-12(3)14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyBYILJHJWZRQFKD-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
5-ethyl-2-methyl-N-propan-2-ylnonan-1-amine
CID 64666042
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
6-ethyl-2,3-dimethyldecane
CID 57491764
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
CID 43767516
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine (CID 104828083) is N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine is CCCCC(CC)CNC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine?
The InChIKey is BYILJHJWZRQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-9-10-13(8-2)11-15-12(3)14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine?
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine is sourced from PubChem (CID 104828083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).