2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide

C10H18N2O — CID 43116565

IUPAC2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CC1
InChIInChI=1S/C10H18N2O/c1-3-6-11-10(13)8(2)12-7-9-4-5-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyPBGNHDBKLRTNGI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide

2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide (PubChem CID 43116565) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide
PubChem CID43116565
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CC1
InChIInChI=1S/C10H18N2O/c1-3-6-11-10(13)8(2)12-7-9-4-5-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyPBGNHDBKLRTNGI-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N,3-dimethyl-2-(prop-2-enoylamino)butanamide
CID 90734779
(2S)-2-acetamido-N-[(E)-3-bromoprop-2-enyl]-3-methylbutanamide
CID 165618986
N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 78914472
N-prop-2-enyl-2-(4,4,4-trifluorobutylamino)propanamide
CID 79040727
N-prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212362
N~1~-allyl-N~2~-isopentylethanediamide
CID 21369924
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
CID 51073538
(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
CID 637160
(2S)-2-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 28197686
(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide
CID 20596391
(2S)-N-(2-amino-2-oxoethyl)-3-methyl-2-(prop-2-enoylamino)butanamide
CID 21308394
(2S)-2-amino-N-prop-2-enylpropanamide
CID 22690438

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide (CID 43116565) is 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide?
The InChIKey is PBGNHDBKLRTNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6-11-10(13)8(2)12-7-9-4-5-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13).
What are the key properties of 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide?
2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43116565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).