3-ethyl-N-methylhexan-1-imine

C9H19N — CID 142964967

IUPAC3-ethyl-N-methylhexan-1-imine
SMILESCCCC(CC)C/C=N/C
InChIInChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyNGLLQXXBKBAJFU-CSKARUKUSA-N
MW141.26 g/mol
LogP2.90
Rot. Bonds5

About 3-ethyl-N-methylhexan-1-imine

3-ethyl-N-methylhexan-1-imine (PubChem CID 142964967) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-ethyl-N-methylhexan-1-imine.

Molecular Properties

Compound Name3-ethyl-N-methylhexan-1-imine
PubChem CID142964967
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-ethyl-N-methylhexan-1-imine
SMILESCCCC(CC)C/C=N/C
InChIInChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyNGLLQXXBKBAJFU-CSKARUKUSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.90
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

3-ethylhexanal
CID 15829179
5-ethyloct-2-ene
CID 54276882
4-ethylheptane;methane
CID 143165373
4,5-diethyloctane
CID 519254
4,8-diethyl-5-methylundecane
CID 59928875
(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine
CID 15366790
N,3,5-trimethyl-4-propan-2-ylheptan-1-imine
CID 123261638
2-cyano-5-ethyloct-2-enoic acid
CID 154063775
3,5-diethyl-2-methyloctane
CID 57491216
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
5-ethylnonane;5-propylnonane
CID 157441807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylhexan-1-imine?
The IUPAC name of 3-ethyl-N-methylhexan-1-imine (CID 142964967) is 3-ethyl-N-methylhexan-1-imine.
What is the SMILES notation for 3-ethyl-N-methylhexan-1-imine?
The canonical SMILES for 3-ethyl-N-methylhexan-1-imine is CCCC(CC)C/C=N/C.
What is the InChIKey of 3-ethyl-N-methylhexan-1-imine?
The InChIKey is NGLLQXXBKBAJFU-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-9(5-2)7-8-10-3/h8-9H,4-7H2,1-3H3/b10-8+.
What are the key properties of 3-ethyl-N-methylhexan-1-imine?
3-ethyl-N-methylhexan-1-imine has a molecular weight of 141.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylhexan-1-imine is sourced from PubChem (CID 142964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).