2-methylidene-N-pent-1-en-2-ylbutan-1-imine

C10H17N — CID 91303022

IUPAC2-methylidene-N-pent-1-en-2-ylbutan-1-imine
SMILESC=C(/C=N/C(=C)CCC)CC
InChIInChI=1S/C10H17N/c1-5-7-10(4)11-8-9(3)6-2/h8H,3-7H2,1-2H3/b11-8+
InChIKeyHYCPPKLHFMRVSK-DHZHZOJOSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds5

About 2-methylidene-N-pent-1-en-2-ylbutan-1-imine

2-methylidene-N-pent-1-en-2-ylbutan-1-imine (PubChem CID 91303022) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-methylidene-N-pent-1-en-2-ylbutan-1-imine.

Molecular Properties

Compound Name2-methylidene-N-pent-1-en-2-ylbutan-1-imine
PubChem CID91303022
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-methylidene-N-pent-1-en-2-ylbutan-1-imine
SMILESC=C(/C=N/C(=C)CCC)CC
InChIInChI=1S/C10H17N/c1-5-7-10(4)11-8-9(3)6-2/h8H,3-7H2,1-2H3/b11-8+
InChIKeyHYCPPKLHFMRVSK-DHZHZOJOSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
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

(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
CID 90998038
2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91031927
N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91047286
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
CID 91088958
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
CID 91297021
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91513493
2-methyl-N-pent-1-en-2-ylprop-2-en-1-imine
CID 91565895

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-pent-1-en-2-ylbutan-1-imine?
The IUPAC name of 2-methylidene-N-pent-1-en-2-ylbutan-1-imine (CID 91303022) is 2-methylidene-N-pent-1-en-2-ylbutan-1-imine.
What is the SMILES notation for 2-methylidene-N-pent-1-en-2-ylbutan-1-imine?
The canonical SMILES for 2-methylidene-N-pent-1-en-2-ylbutan-1-imine is C=C(/C=N/C(=C)CCC)CC.
What is the InChIKey of 2-methylidene-N-pent-1-en-2-ylbutan-1-imine?
The InChIKey is HYCPPKLHFMRVSK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-10(4)11-8-9(3)6-2/h8H,3-7H2,1-2H3/b11-8+.
What are the key properties of 2-methylidene-N-pent-1-en-2-ylbutan-1-imine?
2-methylidene-N-pent-1-en-2-ylbutan-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-pent-1-en-2-ylbutan-1-imine is sourced from PubChem (CID 91303022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).