N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide

C15H23NO — CID 115532543

IUPACN-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(CC1CC1)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H23NO/c1-6-9-16(10-11-7-8-11)13(17)12-14(2,3)15(12,4)5/h1,11-12H,7-10H2,2-5H3
InChIKeyHVRKHVPHSJSYKM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.54
Rot. Bonds4

About N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide

N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide (PubChem CID 115532543) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
PubChem CID115532543
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
SMILESC#CCN(CC1CC1)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H23NO/c1-6-9-16(10-11-7-8-11)13(17)12-14(2,3)15(12,4)5/h1,11-12H,7-10H2,2-5H3
InChIKeyHVRKHVPHSJSYKM-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide (CID 115532543) is N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide is C#CCN(CC1CC1)C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
The InChIKey is HVRKHVPHSJSYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-9-16(10-11-7-8-11)13(17)12-14(2,3)15(12,4)5/h1,11-12H,7-10H2,2-5H3.
What are the key properties of N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide?
N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide has a molecular weight of 233.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide is sourced from PubChem (CID 115532543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).