N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine

C13H25N — CID 130341594

IUPACN-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
SMILESC=NC(C)(CC)C(C)(CC)/C(C)=C/C
InChIInChI=1S/C13H25N/c1-8-11(4)12(5,9-2)13(6,10-3)14-7/h8H,7,9-10H2,1-6H3/b11-8+
InChIKeyBUKLOTAOJGEZRA-DHZHZOJOSA-N
MW195.35 g/mol
LogP4.24
Rot. Bonds5

About N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine

N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine (PubChem CID 130341594) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
PubChem CID130341594
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
SMILESC=NC(C)(CC)C(C)(CC)/C(C)=C/C
InChIInChI=1S/C13H25N/c1-8-11(4)12(5,9-2)13(6,10-3)14-7/h8H,7,9-10H2,1-6H3/b11-8+
InChIKeyBUKLOTAOJGEZRA-DHZHZOJOSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
CID 137392045
N-[(5E,7E)-4-ethyl-3,4,6,7-tetramethyl-5-[(Z)-prop-1-enyl]nona-5,7-dien-3-yl]methanimine
CID 139452636
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
3-ethyl-2,3,4,4-tetramethylpent-1-ene
CID 13031508
[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
CID 134458950
(Z)-2,3-dimethylpent-3-en-2-ol
CID 173496054
(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 155138134
[(Z)-but-2-en-2-yl]-(2-methylbutan-2-yl)diazene
CID 135258495
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine?
The IUPAC name of N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine (CID 130341594) is N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine.
What is the SMILES notation for N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine?
The canonical SMILES for N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine is C=NC(C)(CC)C(C)(CC)/C(C)=C/C.
What is the InChIKey of N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine?
The InChIKey is BUKLOTAOJGEZRA-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H25N/c1-8-11(4)12(5,9-2)13(6,10-3)14-7/h8H,7,9-10H2,1-6H3/b11-8+.
What are the key properties of N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine?
N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine has a molecular weight of 195.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine is sourced from PubChem (CID 130341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).