N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine

C13H25N — CID 87343238

IUPACN,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine
SMILESC=C(CN(C)CC(=C)C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)12(5)8-14(7)9-13(6)11(3)4/h10-11H,5-6,8-9H2,1-4,7H3
InChIKeyFKQVTBLEKMRDNV-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds6

About N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine

N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine (PubChem CID 87343238) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine
PubChem CID87343238
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine
SMILESC=C(CN(C)CC(=C)C(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)12(5)8-14(7)9-13(6)11(3)4/h10-11H,5-6,8-9H2,1-4,7H3
InChIKeyFKQVTBLEKMRDNV-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine (CID 87343238) is N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine is C=C(CN(C)CC(=C)C(C)C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine?
The InChIKey is FKQVTBLEKMRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)12(5)8-14(7)9-13(6)11(3)4/h10-11H,5-6,8-9H2,1-4,7H3.
What are the key properties of N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine?
N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-methylidene-N-(3-methyl-2-methylidenebutyl)butan-1-amine is sourced from PubChem (CID 87343238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).