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

C12H27N — CID 115718044

IUPACN-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-11(8-2)9-13-10(3)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyFXRXXASUKUZQAF-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds5

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

N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine (PubChem CID 115718044) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
PubChem CID115718044
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNC(C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-11(8-2)9-13-10(3)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyFXRXXASUKUZQAF-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 43085320
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
N-(1-bromo-3-methylbutan-2-yl)-2-ethylbutan-1-amine
CID 107859023
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
CID 87166013
2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895182
N-but-2-ynyl-3,3-dimethylbutan-2-amine
CID 115647758
3,3-dimethyl-N-prop-2-ynylbutan-2-amine
CID 115627436
2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
CID 115627530
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine (CID 115718044) is N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine is CCC(CC)CNC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine?
The InChIKey is FXRXXASUKUZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-11(8-2)9-13-10(3)12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine?
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 5 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-ethylbutan-1-amine is sourced from PubChem (CID 115718044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).