N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine

C16H23N — CID 142052947

IUPACN-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine
SMILESC=C(CCCc1cccc(C)c1)/N=C(\C)CC
InChIInChI=1S/C16H23N/c1-5-14(3)17-15(4)9-7-11-16-10-6-8-13(2)12-16/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b17-14+
InChIKeyLEYWXCZMMCPHTG-SAPNQHFASA-N
MW229.37 g/mol
LogP4.70
Rot. Bonds6

About N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine

N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine (PubChem CID 142052947) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine
PubChem CID142052947
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine
SMILESC=C(CCCc1cccc(C)c1)/N=C(\C)CC
InChIInChI=1S/C16H23N/c1-5-14(3)17-15(4)9-7-11-16-10-6-8-13(2)12-16/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b17-14+
InChIKeyLEYWXCZMMCPHTG-SAPNQHFASA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
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CID 22920080
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-(3-methylphenyl)propan-1-amine
CID 12666388
6-(3-methylphenyl)hexan-3-ol
CID 64513249
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
3-(4-methylpent-4-enyl)benzenethiol
CID 143165304
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine?
The IUPAC name of N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine (CID 142052947) is N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine?
The canonical SMILES for N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine is C=C(CCCc1cccc(C)c1)/N=C(\C)CC.
What is the InChIKey of N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine?
The InChIKey is LEYWXCZMMCPHTG-SAPNQHFASA-N. The full InChI is InChI=1S/C16H23N/c1-5-14(3)17-15(4)9-7-11-16-10-6-8-13(2)12-16/h6,8,10,12H,4-5,7,9,11H2,1-3H3/b17-14+.
What are the key properties of N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine?
N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine has a molecular weight of 229.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)pent-1-en-2-yl]butan-2-imine is sourced from PubChem (CID 142052947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).