(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide

C9H17N3O — CID 68505296

IUPAC(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide
SMILESNC(=O)/C=C(/N)NC1CCCCC1
InChIInChI=1S/C9H17N3O/c10-8(6-9(11)13)12-7-4-2-1-3-5-7/h6-7,12H,1-5,10H2,(H2,11,13)/b8-6-
InChIKeyIZWVKZAONLQBEK-VURMDHGXSA-N
MW183.25 g/mol
LogP0.19
Rot. Bonds3

About (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide

(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide (PubChem CID 68505296) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide
PubChem CID68505296
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide
SMILESNC(=O)/C=C(/N)NC1CCCCC1
InChIInChI=1S/C9H17N3O/c10-8(6-9(11)13)12-7-4-2-1-3-5-7/h6-7,12H,1-5,10H2,(H2,11,13)/b8-6-
InChIKeyIZWVKZAONLQBEK-VURMDHGXSA-N
XLogP0.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide?
The IUPAC name of (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide (CID 68505296) is (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide is NC(=O)/C=C(/N)NC1CCCCC1.
What is the InChIKey of (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide?
The InChIKey is IZWVKZAONLQBEK-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17N3O/c10-8(6-9(11)13)12-7-4-2-1-3-5-7/h6-7,12H,1-5,10H2,(H2,11,13)/b8-6-.
What are the key properties of (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide?
(Z)-3-amino-3-(cyclohexylamino)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(cyclohexylamino)prop-2-enamide is sourced from PubChem (CID 68505296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).