N-but-3-en-2-yl-N-methylbut-2-en-2-amine

C9H17N — CID 90727153

IUPACN-but-3-en-2-yl-N-methylbut-2-en-2-amine
SMILESC=CC(C)N(C)C(C)=CC
InChIInChI=1S/C9H17N/c1-6-8(3)10(5)9(4)7-2/h6-8H,1H2,2-5H3
InChIKeyNOZRYCVOELIZCP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds3

About N-but-3-en-2-yl-N-methylbut-2-en-2-amine

N-but-3-en-2-yl-N-methylbut-2-en-2-amine (PubChem CID 90727153) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-methylbut-2-en-2-amine
PubChem CID90727153
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-but-3-en-2-yl-N-methylbut-2-en-2-amine
SMILESC=CC(C)N(C)C(C)=CC
InChIInChI=1S/C9H17N/c1-6-8(3)10(5)9(4)7-2/h6-8H,1H2,2-5H3
InChIKeyNOZRYCVOELIZCP-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
CID 137457731
N,N-dimethylbut-3-en-2-amine
CID 13459667
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N'-but-3-en-2-yl-N'-methylmethanediamine
CID 174577366
(Z)-N-methyl-N-prop-1-en-2-ylhex-3-en-2-amine
CID 160560339
2-[but-3-en-2-yl(methyl)amino]-2-methylpropanoic acid
CID 62819782
1-ethenyl-1-methyl-2-[(Z)-4-methylpent-2-en-3-yl]hydrazine
CID 138463436
N-but-3-en-2-ylhydroxylamine
CID 18467379
1-(dimethylamino)prop-2-en-1-ol
CID 87523249
N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
CID 170184127
N,N,5-trimethylhexa-1,4-dien-3-amine
CID 126639086
(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
CID 135231461

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-N-methylbut-2-en-2-amine?
The IUPAC name of N-but-3-en-2-yl-N-methylbut-2-en-2-amine (CID 90727153) is N-but-3-en-2-yl-N-methylbut-2-en-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-N-methylbut-2-en-2-amine?
The canonical SMILES for N-but-3-en-2-yl-N-methylbut-2-en-2-amine is C=CC(C)N(C)C(C)=CC.
What is the InChIKey of N-but-3-en-2-yl-N-methylbut-2-en-2-amine?
The InChIKey is NOZRYCVOELIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(3)10(5)9(4)7-2/h6-8H,1H2,2-5H3.
What are the key properties of N-but-3-en-2-yl-N-methylbut-2-en-2-amine?
N-but-3-en-2-yl-N-methylbut-2-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-methylbut-2-en-2-amine is sourced from PubChem (CID 90727153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).