(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide

C7H17N3O — CID 145493080

IUPAC(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide
SMILESCCC(N)=O.CN/C(C)=C\N
InChIInChI=1S/C4H10N2.C3H7NO/c1-4(3-5)6-2;1-2-3(4)5/h3,6H,5H2,1-2H3;2H2,1H3,(H2,4,5)/b4-3-;
InChIKeyPTVCAFGOBMCWKF-LNKPDPKZSA-N
MW159.23 g/mol
LogP-0.09
Rot. Bonds2

About (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide

(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide (PubChem CID 145493080) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide.

Molecular Properties

Compound Name(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide
PubChem CID145493080
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide
SMILESCCC(N)=O.CN/C(C)=C\N
InChIInChI=1S/C4H10N2.C3H7NO/c1-4(3-5)6-2;1-2-3(4)5/h3,6H,5H2,1-2H3;2H2,1H3,(H2,4,5)/b4-3-;
InChIKeyPTVCAFGOBMCWKF-LNKPDPKZSA-N
XLogP-0.09
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-diacetylpropylene-1,2-diamine
CID 146681442
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CID 126657625
N-[(Z)-1-(methylamino)prop-1-en-2-yl]butanamide
CID 135161197
N-methylacetamide;N-methylprop-1-en-2-amine
CID 142049916
N-[(Z)-2-aminoprop-1-enyl]acetamide
CID 148530990
N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide
CID 155137850
(Z)-3-(methylamino)-4-(propan-2-ylamino)but-3-enamide
CID 169244558
N-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]acetamide
CID 169861115
3-(2-Aminoprop-1-enylamino)propanamide
CID 173439253
N-(1-aminoprop-1-en-2-yl)acetamide
CID 174918480

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide?
The IUPAC name of (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide (CID 145493080) is (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide.
What is the SMILES notation for (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide?
The canonical SMILES for (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide is CCC(N)=O.CN/C(C)=C\N.
What is the InChIKey of (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide?
The InChIKey is PTVCAFGOBMCWKF-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H10N2.C3H7NO/c1-4(3-5)6-2;1-2-3(4)5/h3,6H,5H2,1-2H3;2H2,1H3,(H2,4,5)/b4-3-;.
What are the key properties of (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide?
(Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide has a molecular weight of 159.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-methylprop-1-ene-1,2-diamine;propanamide is sourced from PubChem (CID 145493080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).