N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine

C12H25N — CID 90787138

IUPACN,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
SMILESC=C(CC(C)C)N(C)CC(C)CC
InChIInChI=1S/C12H25N/c1-7-11(4)9-13(6)12(5)8-10(2)3/h10-11H,5,7-9H2,1-4,6H3
InChIKeyPVTDGIZTLZFXTP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.52
Rot. Bonds6

About N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine

N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine (PubChem CID 90787138) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
PubChem CID90787138
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
SMILESC=C(CC(C)C)N(C)CC(C)CC
InChIInChI=1S/C12H25N/c1-7-11(4)9-13(6)12(5)8-10(2)3/h10-11H,5,7-9H2,1-4,6H3
InChIKeyPVTDGIZTLZFXTP-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
CID 143366441
N-methyl-N-(2-methylbutyl)hydroxylamine
CID 143701595
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine
CID 90210039
2,6-dimethyl-4-methylideneoctane
CID 12567282
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
2-chloro-4-methylhex-1-ene
CID 15153636
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
CID 103495923
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine?
The IUPAC name of N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine (CID 90787138) is N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine?
The canonical SMILES for N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine is C=C(CC(C)C)N(C)CC(C)CC.
What is the InChIKey of N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine?
The InChIKey is PVTDGIZTLZFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-11(4)9-13(6)12(5)8-10(2)3/h10-11H,5,7-9H2,1-4,6H3.
What are the key properties of N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine?
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine is sourced from PubChem (CID 90787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).