N,2,5-trimethyl-4-methylidenehexan-3-imine

C10H19N — CID 91017057

IUPACN,2,5-trimethyl-4-methylidenehexan-3-imine
SMILESC=C(/C(=N/C)C(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8H,5H2,1-4,6H3/b11-10+
InChIKeyCOAHBVQWZGKYAK-ZHACJKMWSA-N
MW153.27 g/mol
LogP2.93
Rot. Bonds3

About N,2,5-trimethyl-4-methylidenehexan-3-imine

N,2,5-trimethyl-4-methylidenehexan-3-imine (PubChem CID 91017057) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,2,5-trimethyl-4-methylidenehexan-3-imine.

Molecular Properties

Compound NameN,2,5-trimethyl-4-methylidenehexan-3-imine
PubChem CID91017057
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,2,5-trimethyl-4-methylidenehexan-3-imine
SMILESC=C(/C(=N/C)C(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8H,5H2,1-4,6H3/b11-10+
InChIKeyCOAHBVQWZGKYAK-ZHACJKMWSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.93
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

4-fluoro-N,2,4-trimethylpent-1-en-3-imine
CID 126481414
1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine
CID 174320417
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 89034784
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
3-ethylidene-N,5-dimethylheptan-2-imine
CID 123215732
N-ethyl-2,5,6-trimethylnon-4-en-3-imine
CID 123238622
N,4,5-trimethylhept-5-en-2-imine
CID 123336280
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
N,3,4-trimethyl-6-methylideneoct-3-en-2-imine
CID 123407828

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-4-methylidenehexan-3-imine?
The IUPAC name of N,2,5-trimethyl-4-methylidenehexan-3-imine (CID 91017057) is N,2,5-trimethyl-4-methylidenehexan-3-imine.
What is the SMILES notation for N,2,5-trimethyl-4-methylidenehexan-3-imine?
The canonical SMILES for N,2,5-trimethyl-4-methylidenehexan-3-imine is C=C(/C(=N/C)C(C)C)C(C)C.
What is the InChIKey of N,2,5-trimethyl-4-methylidenehexan-3-imine?
The InChIKey is COAHBVQWZGKYAK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8H,5H2,1-4,6H3/b11-10+.
What are the key properties of N,2,5-trimethyl-4-methylidenehexan-3-imine?
N,2,5-trimethyl-4-methylidenehexan-3-imine has a molecular weight of 153.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-4-methylidenehexan-3-imine is sourced from PubChem (CID 91017057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).