4-methyl-N-pentylpent-1-en-3-imine

C11H21N — CID 123625020

IUPAC4-methyl-N-pentylpent-1-en-3-imine
SMILESC=C/C(=N\CCCCC)C(C)C
InChIInChI=1S/C11H21N/c1-5-7-8-9-12-11(6-2)10(3)4/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+
InChIKeyBOHXEMTZERRJKW-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds6

About 4-methyl-N-pentylpent-1-en-3-imine

4-methyl-N-pentylpent-1-en-3-imine (PubChem CID 123625020) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-methyl-N-pentylpent-1-en-3-imine.

Molecular Properties

Compound Name4-methyl-N-pentylpent-1-en-3-imine
PubChem CID123625020
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-methyl-N-pentylpent-1-en-3-imine
SMILESC=C/C(=N\CCCCC)C(C)C
InChIInChI=1S/C11H21N/c1-5-7-8-9-12-11(6-2)10(3)4/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+
InChIKeyBOHXEMTZERRJKW-VAWYXSNFSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
2-nonyl-1-propan-2-ylguanidine
CID 111034727
N'-pentylpropanimidamide
CID 62047571
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
N'-hexylpropanimidamide
CID 62048653
N'-ethenyl-N-(4-pentyldec-1-en-3-ylidene)methanimidamide
CID 155277704
ethenol;hexane
CID 22706833
N'-butylethanimidamide;ethanol;hexane;propan-2-ol
CID 159292943
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentylpent-1-en-3-imine?
The IUPAC name of 4-methyl-N-pentylpent-1-en-3-imine (CID 123625020) is 4-methyl-N-pentylpent-1-en-3-imine.
What is the SMILES notation for 4-methyl-N-pentylpent-1-en-3-imine?
The canonical SMILES for 4-methyl-N-pentylpent-1-en-3-imine is C=C/C(=N\CCCCC)C(C)C.
What is the InChIKey of 4-methyl-N-pentylpent-1-en-3-imine?
The InChIKey is BOHXEMTZERRJKW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-9-12-11(6-2)10(3)4/h6,10H,2,5,7-9H2,1,3-4H3/b12-11+.
What are the key properties of 4-methyl-N-pentylpent-1-en-3-imine?
4-methyl-N-pentylpent-1-en-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentylpent-1-en-3-imine is sourced from PubChem (CID 123625020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).