trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C15H28N2O — CID 100842702

IUPACtrans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C)N(C)C)C1(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)8-12-13(15(12,4)5)14(18)16-9-11(3)17(6)7/h8,11-13H,9H2,1-7H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeyOABBMDIYULABQE-JHJVBQTASA-N
MW252.40 g/mol
LogP2.29
Rot. Bonds5

About trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 100842702) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID100842702
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nametrans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C)N(C)C)C1(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)8-12-13(15(12,4)5)14(18)16-9-11(3)17(6)7/h8,11-13H,9H2,1-7H3,(H,16,18)/t11-,12-,13-/m1/s1
InChIKeyOABBMDIYULABQE-JHJVBQTASA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 100842702) is trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C)N(C)C)C1(C)C.
What is the InChIKey of trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is OABBMDIYULABQE-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)8-12-13(15(12,4)5)14(18)16-9-11(3)17(6)7/h8,11-13H,9H2,1-7H3,(H,16,18)/t11-,12-,13-/m1/s1.
What are the key properties of trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100842702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).