2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide

C12H20N2O — CID 112731200

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC1CC1)C(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-13-12(15)9-14(10(2)3)8-11-5-6-11/h1,10-11H,5-9H2,2-3H3,(H,13,15)
InChIKeyWHSFKMSRBBQCSR-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.86
Rot. Bonds6

About 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide

2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide (PubChem CID 112731200) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
PubChem CID112731200
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC1CC1)C(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-13-12(15)9-14(10(2)3)8-11-5-6-11/h1,10-11H,5-9H2,2-3H3,(H,13,15)
InChIKeyWHSFKMSRBBQCSR-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
2-[piperidin-4-ylmethyl(propan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 79704024
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-prop-2-ynylacetamide
CID 112732359
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
CID 112726197
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111110024
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
2-[propan-2-yl(prop-2-ynylcarbamoyl)amino]acetic acid
CID 61192933

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide (CID 112731200) is 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CC1CC1)C(C)C.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide?
The InChIKey is WHSFKMSRBBQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-7-13-12(15)9-14(10(2)3)8-11-5-6-11/h1,10-11H,5-9H2,2-3H3,(H,13,15).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide?
2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide has a molecular weight of 208.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 112731200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).