N-butan-2-yl-3,4-dimethylidenehexan-2-amine

C12H23N — CID 91069547

IUPACN-butan-2-yl-3,4-dimethylidenehexan-2-amine
SMILESC=C(CC)C(=C)C(C)NC(C)CC
InChIInChI=1S/C12H23N/c1-7-9(3)11(5)12(6)13-10(4)8-2/h10,12-13H,3,5,7-8H2,1-2,4,6H3
InChIKeyYHOKYNGOUDAOHO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.29
Rot. Bonds6

About N-butan-2-yl-3,4-dimethylidenehexan-2-amine

N-butan-2-yl-3,4-dimethylidenehexan-2-amine (PubChem CID 91069547) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-butan-2-yl-3,4-dimethylidenehexan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-3,4-dimethylidenehexan-2-amine
PubChem CID91069547
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-butan-2-yl-3,4-dimethylidenehexan-2-amine
SMILESC=C(CC)C(=C)C(C)NC(C)CC
InChIInChI=1S/C12H23N/c1-7-9(3)11(5)12(6)13-10(4)8-2/h10,12-13H,3,5,7-8H2,1-2,4,6H3
InChIKeyYHOKYNGOUDAOHO-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
3,4-dimethylidenehexan-2-ol
CID 130126331
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
[3-[2-(butan-2-ylamino)propanoyloxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139382686
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
N-(1-cyclopropylethyl)butan-2-amine
CID 43190238
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626442
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
N-butan-2-ylheptan-4-amine
CID 43190303
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,4-dimethylidenehexan-2-amine?
The IUPAC name of N-butan-2-yl-3,4-dimethylidenehexan-2-amine (CID 91069547) is N-butan-2-yl-3,4-dimethylidenehexan-2-amine.
What is the SMILES notation for N-butan-2-yl-3,4-dimethylidenehexan-2-amine?
The canonical SMILES for N-butan-2-yl-3,4-dimethylidenehexan-2-amine is C=C(CC)C(=C)C(C)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3,4-dimethylidenehexan-2-amine?
The InChIKey is YHOKYNGOUDAOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7-9(3)11(5)12(6)13-10(4)8-2/h10,12-13H,3,5,7-8H2,1-2,4,6H3.
What are the key properties of N-butan-2-yl-3,4-dimethylidenehexan-2-amine?
N-butan-2-yl-3,4-dimethylidenehexan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,4-dimethylidenehexan-2-amine is sourced from PubChem (CID 91069547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).