N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one

C15H29NO2 — CID 143844745

IUPACN-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one
SMILESC=CCCCCN(C)C=O.CC(C)=O.CC1CC1
InChIInChI=1S/C8H15NO.C4H8.C3H6O/c1-3-4-5-6-7-9(2)8-10;1-4-2-3-4;1-3(2)4/h3,8H,1,4-7H2,2H3;4H,2-3H2,1H3;1-2H3
InChIKeyADZYMMDYTKNGQC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.44
Rot. Bonds6

About N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one

N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one (PubChem CID 143844745) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one.

Molecular Properties

Compound NameN-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one
PubChem CID143844745
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one
SMILESC=CCCCCN(C)C=O.CC(C)=O.CC1CC1
InChIInChI=1S/C8H15NO.C4H8.C3H6O/c1-3-4-5-6-7-9(2)8-10;1-4-2-3-4;1-3(2)4/h3,8H,1,4-7H2,2H3;4H,2-3H2,1H3;1-2H3
InChIKeyADZYMMDYTKNGQC-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(6-oxohexyl)formamide
CID 145135012
N-methyl-N-tetradecylformamide
CID 10422507
N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 141167486
diethyl 2-[acetyl(hex-5-enyl)amino]propanedioate
CID 71417691
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
acetic acid;oct-1-ene
CID 159976970
N-iodo-N-methyloct-7-en-1-amine
CID 170105765
1-(4-methylcyclohexyl)-2-(prop-2-enylamino)ethanone
CID 116589884
acetic acid;octadec-1-ene;zinc
CID 175392389
2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
CID 120793870
2-[cyclopentyl(hept-6-enyl)amino]acetic acid
CID 107007803

Frequently Asked Questions

What is the IUPAC name of N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one?
The IUPAC name of N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one (CID 143844745) is N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one.
What is the SMILES notation for N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one?
The canonical SMILES for N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one is C=CCCCCN(C)C=O.CC(C)=O.CC1CC1.
What is the InChIKey of N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one?
The InChIKey is ADZYMMDYTKNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C4H8.C3H6O/c1-3-4-5-6-7-9(2)8-10;1-4-2-3-4;1-3(2)4/h3,8H,1,4-7H2,2H3;4H,2-3H2,1H3;1-2H3.
What are the key properties of N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one?
N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one has a molecular weight of 255.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one is sourced from PubChem (CID 143844745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).