2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide

C12H22N2O — CID 60946878

IUPAC2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNCC1CC1)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-7-14(10(2)3)12(15)9-13-8-11-5-6-11/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeySMYGOUUYEYKBIT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide

2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide (PubChem CID 60946878) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide
PubChem CID60946878
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CNCC1CC1)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-7-14(10(2)3)12(15)9-13-8-11-5-6-11/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeySMYGOUUYEYKBIT-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
2-(cyclopropylmethylamino)-N,N-bis(3-methylbutyl)acetamide
CID 54870066
3-methyl-1-propan-2-yl-1-prop-2-enylurea
CID 115588417
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
2-(cyclopropylmethylamino)-N-methyl-N-pentan-2-ylacetamide
CID 60865827
3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(cyclopropylmethylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 54870366
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978411
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide (CID 60946878) is 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide is C=CCN(C(=O)CNCC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide?
The InChIKey is SMYGOUUYEYKBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-14(10(2)3)12(15)9-13-8-11-5-6-11/h4,10-11,13H,1,5-9H2,2-3H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide?
2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-propan-2-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 60946878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).