N-butyl-2-methylbut-2-en-1-amine

C9H19N — CID 76568540

IUPACN-butyl-2-methylbut-2-en-1-amine
SMILESCC=C(C)CNCCCC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h5,10H,4,6-8H2,1-3H3
InChIKeyZTLFTXUFVJOWQF-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds5

About N-butyl-2-methylbut-2-en-1-amine

N-butyl-2-methylbut-2-en-1-amine (PubChem CID 76568540) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-butyl-2-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-butyl-2-methylbut-2-en-1-amine
PubChem CID76568540
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-butyl-2-methylbut-2-en-1-amine
SMILESCC=C(C)CNCCCC
InChIInChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h5,10H,4,6-8H2,1-3H3
InChIKeyZTLFTXUFVJOWQF-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-methylbut-2-enyl]pentan-1-amine;hydrochloride
CID 155225919
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
butylaminomethanol;propane
CID 169245417
1-(butylamino)pent-3-en-2-one;nickel
CID 161234622
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butylbutan-1-amine;propan-1-ol
CID 174657089
2-(butylamino)acetyl chloride;hydrochloride
CID 87301147
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
N-butyl-2-methylidenepentan-1-amine
CID 88829510
butan-2-one;N-butylbutan-1-amine
CID 161180085
acetamide;N-butylbutan-1-amine
CID 172792447
N-[2-(azetidin-3-ylidene)propyl]butan-1-amine
CID 116679538

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylbut-2-en-1-amine?
The IUPAC name of N-butyl-2-methylbut-2-en-1-amine (CID 76568540) is N-butyl-2-methylbut-2-en-1-amine.
What is the SMILES notation for N-butyl-2-methylbut-2-en-1-amine?
The canonical SMILES for N-butyl-2-methylbut-2-en-1-amine is CC=C(C)CNCCCC.
What is the InChIKey of N-butyl-2-methylbut-2-en-1-amine?
The InChIKey is ZTLFTXUFVJOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-7-10-8-9(3)5-2/h5,10H,4,6-8H2,1-3H3.
What are the key properties of N-butyl-2-methylbut-2-en-1-amine?
N-butyl-2-methylbut-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylbut-2-en-1-amine is sourced from PubChem (CID 76568540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).