N-butyl-N,3-dimethylbuta-1,3-dien-2-amine

C10H19N — CID 135269001

IUPACN-butyl-N,3-dimethylbuta-1,3-dien-2-amine
SMILESC=C(C)C(=C)N(C)CCCC
InChIInChI=1S/C10H19N/c1-6-7-8-11(5)10(4)9(2)3/h2,4,6-8H2,1,3,5H3
InChIKeyHNLCMSGOZMHPRE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds5

About N-butyl-N,3-dimethylbuta-1,3-dien-2-amine

N-butyl-N,3-dimethylbuta-1,3-dien-2-amine (PubChem CID 135269001) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-butyl-N,3-dimethylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-butyl-N,3-dimethylbuta-1,3-dien-2-amine
PubChem CID135269001
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-butyl-N,3-dimethylbuta-1,3-dien-2-amine
SMILESC=C(C)C(=C)N(C)CCCC
InChIInChI=1S/C10H19N/c1-6-7-8-11(5)10(4)9(2)3/h2,4,6-8H2,1,3,5H3
InChIKeyHNLCMSGOZMHPRE-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-dimethylbuta-1,3-dien-2-amine?
The IUPAC name of N-butyl-N,3-dimethylbuta-1,3-dien-2-amine (CID 135269001) is N-butyl-N,3-dimethylbuta-1,3-dien-2-amine.
What is the SMILES notation for N-butyl-N,3-dimethylbuta-1,3-dien-2-amine?
The canonical SMILES for N-butyl-N,3-dimethylbuta-1,3-dien-2-amine is C=C(C)C(=C)N(C)CCCC.
What is the InChIKey of N-butyl-N,3-dimethylbuta-1,3-dien-2-amine?
The InChIKey is HNLCMSGOZMHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-8-11(5)10(4)9(2)3/h2,4,6-8H2,1,3,5H3.
What are the key properties of N-butyl-N,3-dimethylbuta-1,3-dien-2-amine?
N-butyl-N,3-dimethylbuta-1,3-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethylbuta-1,3-dien-2-amine is sourced from PubChem (CID 135269001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).