(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide

C8H17N3O — CID 169244558

IUPAC(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide
SMILESCN/C(=C\NC(C)C)CC(N)=O
InChIInChI=1S/C8H17N3O/c1-6(2)11-5-7(10-3)4-8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-
InChIKeyDCKHSHBVZCRQEG-ALCCZGGFSA-N
MW171.24 g/mol
LogP-0.08
Rot. Bonds5

About (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide

(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide (PubChem CID 169244558) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide
PubChem CID169244558
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide
SMILESCN/C(=C\NC(C)C)CC(N)=O
InChIInChI=1S/C8H17N3O/c1-6(2)11-5-7(10-3)4-8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-
InChIKeyDCKHSHBVZCRQEG-ALCCZGGFSA-N
XLogP-0.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1,3-dihydropyrrol-2-one
CID 276755
(E)-4-amino-3-(methylamino)but-3-enamide
CID 118973901
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
3-[4-[Butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
CID 142174077
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
but-1-en-2-amine;N-methylpropanamide
CID 143544208
(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide
CID 145493080
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324
3-amino-N-methylbut-3-enamide
CID 155242589
(Z)-4-(methylamino)-5-(propan-2-ylamino)pent-4-en-2-one
CID 169244547
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
CID 170356587
N,N-dimethylpropanamide;ethane;N-propan-2-ylbut-1-en-2-amine
CID 170602036

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide?
The IUPAC name of (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide (CID 169244558) is (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide.
What is the SMILES notation for (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide?
The canonical SMILES for (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide is CN/C(=C\NC(C)C)CC(N)=O.
What is the InChIKey of (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide?
The InChIKey is DCKHSHBVZCRQEG-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)11-5-7(10-3)4-8(9)12/h5-6,10-11H,4H2,1-3H3,(H2,9,12)/b7-5-.
What are the key properties of (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide?
(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide has a molecular weight of 171.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide is sourced from PubChem (CID 169244558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).