2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

C17H33NO — CID 72801227

IUPAC2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCCCCCCCC1CC1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H33NO/c1-6-7-8-9-10-11-15-12-16(15)17(19)18(13(2)3)14(4)5/h13-16H,6-12H2,1-5H3
InChIKeyFJJRDTVYVXTYLV-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.63
Rot. Bonds9

About 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide

2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (PubChem CID 72801227) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
PubChem CID72801227
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCCCCCCCC1CC1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H33NO/c1-6-7-8-9-10-11-15-12-16(15)17(19)18(13(2)3)14(4)5/h13-16H,6-12H2,1-5H3
InChIKeyFJJRDTVYVXTYLV-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide (CID 72801227) is 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is CCCCCCCC1CC1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FJJRDTVYVXTYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-7-8-9-10-11-15-12-16(15)17(19)18(13(2)3)14(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide?
2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 267.46 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-N,N-di(propan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72801227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).