N-propyl-N-prop-2-ynylcycloheptanecarboxamide

C14H23NO — CID 78917353

IUPACN-propyl-N-prop-2-ynylcycloheptanecarboxamide
SMILESC#CCN(CCC)C(=O)C1CCCCCC1
InChIInChI=1S/C14H23NO/c1-3-11-15(12-4-2)14(16)13-9-7-5-6-8-10-13/h1,13H,4-12H2,2H3
InChIKeyKNXVVTIVOPHEJJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.83
Rot. Bonds4

About N-propyl-N-prop-2-ynylcycloheptanecarboxamide

N-propyl-N-prop-2-ynylcycloheptanecarboxamide (PubChem CID 78917353) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylcycloheptanecarboxamide
PubChem CID78917353
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-propyl-N-prop-2-ynylcycloheptanecarboxamide
SMILESC#CCN(CCC)C(=O)C1CCCCCC1
InChIInChI=1S/C14H23NO/c1-3-11-15(12-4-2)14(16)13-9-7-5-6-8-10-13/h1,13H,4-12H2,2H3
InChIKeyKNXVVTIVOPHEJJ-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclooctanecarboxamide
CID 65018468
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-propyl-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
CID 78970491
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylcycloheptanecarboxamide?
The IUPAC name of N-propyl-N-prop-2-ynylcycloheptanecarboxamide (CID 78917353) is N-propyl-N-prop-2-ynylcycloheptanecarboxamide.
What is the SMILES notation for N-propyl-N-prop-2-ynylcycloheptanecarboxamide?
The canonical SMILES for N-propyl-N-prop-2-ynylcycloheptanecarboxamide is C#CCN(CCC)C(=O)C1CCCCCC1.
What is the InChIKey of N-propyl-N-prop-2-ynylcycloheptanecarboxamide?
The InChIKey is KNXVVTIVOPHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-15(12-4-2)14(16)13-9-7-5-6-8-10-13/h1,13H,4-12H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylcycloheptanecarboxamide?
N-propyl-N-prop-2-ynylcycloheptanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylcycloheptanecarboxamide is sourced from PubChem (CID 78917353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).