N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide

C18H31NO — CID 76600100

IUPACN-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
SMILESCCCCCC=CCCC1CC1CN(C)C(=O)C1CC1
InChIInChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-16-13-17(16)14-19(2)18(20)15-11-12-15/h7-8,15-17H,3-6,9-14H2,1-2H3
InChIKeyBKRCBJNUYVAELJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.41
Rot. Bonds10

About N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide

N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide (PubChem CID 76600100) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
PubChem CID76600100
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
SMILESCCCCCC=CCCC1CC1CN(C)C(=O)C1CC1
InChIInChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-16-13-17(16)14-19(2)18(20)15-11-12-15/h7-8,15-17H,3-6,9-14H2,1-2H3
InChIKeyBKRCBJNUYVAELJ-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 89174574
2-[(1R,2S)-2-[(Z)-oct-3-enyl]cyclopropyl]ethanol
CID 59055603
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
CID 72752348
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087
2-[14-(2-hexatriacont-15-enylcyclopropyl)-1-hydroxytetradecyl]hexacosanoic acid
CID 162821800
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
13-[(1S,2R)-2-icosylcyclopropyl]tridecanal
CID 11295341
3,3-dimethyl-9-[2-[(Z)-oct-2-enyl]cyclopropyl]nonan-2-one
CID 167614180
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
carbonic acid;(Z)-octadec-9-ene
CID 87599003
N-methyl-N-pentadec-2-enylacetamide
CID 123664370

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide (CID 76600100) is N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide is CCCCCC=CCCC1CC1CN(C)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide?
The InChIKey is BKRCBJNUYVAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-16-13-17(16)14-19(2)18(20)15-11-12-15/h7-8,15-17H,3-6,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide?
N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide has a molecular weight of 277.45 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 76600100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).