2-imino-N,N-dipropylbut-3-enamide

C10H18N2O — CID 163733264

IUPAC2-imino-N,N-dipropylbut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)N(CCC)CCC
InChIInChI=1S/C10H18N2O/c1-4-7-12(8-5-2)10(13)9(11)6-3/h6,11H,3-5,7-8H2,1-2H3/b11-9+
InChIKeyLBKZEDQEXIIGRX-PKNBQFBNSA-N
MW182.27 g/mol
LogP1.84
Rot. Bonds6

About 2-imino-N,N-dipropylbut-3-enamide

2-imino-N,N-dipropylbut-3-enamide (PubChem CID 163733264) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-imino-N,N-dipropylbut-3-enamide.

Molecular Properties

Compound Name2-imino-N,N-dipropylbut-3-enamide
PubChem CID163733264
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-imino-N,N-dipropylbut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)N(CCC)CCC
InChIInChI=1S/C10H18N2O/c1-4-7-12(8-5-2)10(13)9(11)6-3/h6,11H,3-5,7-8H2,1-2H3/b11-9+
InChIKeyLBKZEDQEXIIGRX-PKNBQFBNSA-N
XLogP1.84
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
N-[(3S,5E)-4-iminonona-5,8-dien-3-yl]-N-methylpropanamide
CID 137466839
N-(2-iminobut-3-enyl)butanamide;methanimine;molecular hydrogen
CID 144540771
(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide
CID 145282443
N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
CID 167146385
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
N-(2-iminobut-3-enyl)butanamide
CID 144540772
(Z)-N-[(Z)-2-ethyliminopent-3-enyl]-2-iminopent-3-enamide
CID 155714640
2-Imino-1-pyrrolidin-1-ylhex-3-en-1-one
CID 163264528
2-Imino-1-pyrrolidin-1-ylbut-3-en-1-one
CID 169145812

Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N-dipropylbut-3-enamide?
The IUPAC name of 2-imino-N,N-dipropylbut-3-enamide (CID 163733264) is 2-imino-N,N-dipropylbut-3-enamide.
What is the SMILES notation for 2-imino-N,N-dipropylbut-3-enamide?
The canonical SMILES for 2-imino-N,N-dipropylbut-3-enamide is [H]/N=C(\C=C)C(=O)N(CCC)CCC.
What is the InChIKey of 2-imino-N,N-dipropylbut-3-enamide?
The InChIKey is LBKZEDQEXIIGRX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-7-12(8-5-2)10(13)9(11)6-3/h6,11H,3-5,7-8H2,1-2H3/b11-9+.
What are the key properties of 2-imino-N,N-dipropylbut-3-enamide?
2-imino-N,N-dipropylbut-3-enamide has a molecular weight of 182.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-dipropylbut-3-enamide is sourced from PubChem (CID 163733264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).