N-butyl-N,3-dimethylbut-3-en-1-amine

C10H21N — CID 14903671

IUPACN-butyl-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CCCC
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h2,5-9H2,1,3-4H3
InChIKeyXYAYHLXAHCSYNN-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds6

About N-butyl-N,3-dimethylbut-3-en-1-amine

N-butyl-N,3-dimethylbut-3-en-1-amine (PubChem CID 14903671) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butyl-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound NameN-butyl-N,3-dimethylbut-3-en-1-amine
PubChem CID14903671
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butyl-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CCCC
InChIInChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h2,5-9H2,1,3-4H3
InChIKeyXYAYHLXAHCSYNN-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
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-butyl-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of N-butyl-N,3-dimethylbut-3-en-1-amine (CID 14903671) is N-butyl-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for N-butyl-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for N-butyl-N,3-dimethylbut-3-en-1-amine is C=C(C)CCN(C)CCCC.
What is the InChIKey of N-butyl-N,3-dimethylbut-3-en-1-amine?
The InChIKey is XYAYHLXAHCSYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-8-11(4)9-7-10(2)3/h2,5-9H2,1,3-4H3.
What are the key properties of N-butyl-N,3-dimethylbut-3-en-1-amine?
N-butyl-N,3-dimethylbut-3-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 14903671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).