N,2,3,5-tetramethylheptan-4-imine

C11H23N — CID 174244077

IUPACN,2,3,5-tetramethylheptan-4-imine
SMILESCCC(C)/C(=N\C)C(C)C(C)C
InChIInChI=1S/C11H23N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-10H,7H2,1-6H3/b12-11+
InChIKeyWPSSSIIWTFWQDR-VAWYXSNFSA-N
MW169.31 g/mol
LogP3.40
Rot. Bonds4

About N,2,3,5-tetramethylheptan-4-imine

N,2,3,5-tetramethylheptan-4-imine (PubChem CID 174244077) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,2,3,5-tetramethylheptan-4-imine.

Molecular Properties

Compound NameN,2,3,5-tetramethylheptan-4-imine
PubChem CID174244077
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,2,3,5-tetramethylheptan-4-imine
SMILESCCC(C)/C(=N\C)C(C)C(C)C
InChIInChI=1S/C11H23N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-10H,7H2,1-6H3/b12-11+
InChIKeyWPSSSIIWTFWQDR-VAWYXSNFSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.40
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

N-(3,5-dimethyloctan-4-ylidene)hydroxylamine
CID 178171758
4-butan-2-yl-2,3-dimethyloct-4-ene
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6-hydroxy-2,3,7-trimethylnon-5-en-4-one
CID 177119848
N'-ethenyl-2-methylbutanimidamide
CID 155258668
1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 110943272
2-methyl-1,3-di(propan-2-yl)guanidine
CID 21364757
(3R)-3-methylpent-1-en-2-ol
CID 89203555
1,3-diethyl-2-methylguanidine
CID 58687650
2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide
CID 123403533
1-butan-2-yl-2-methyl-3-prop-2-ynylguanidine
CID 130667378
N',2,3-trimethyl-N-[(Z)-2-methylbut-1-enyl]butanimidamide
CID 139334741
2-methyl-N-propan-2-ylbutanimidoyl fluoride
CID 134344210

Frequently Asked Questions

What is the IUPAC name of N,2,3,5-tetramethylheptan-4-imine?
The IUPAC name of N,2,3,5-tetramethylheptan-4-imine (CID 174244077) is N,2,3,5-tetramethylheptan-4-imine.
What is the SMILES notation for N,2,3,5-tetramethylheptan-4-imine?
The canonical SMILES for N,2,3,5-tetramethylheptan-4-imine is CCC(C)/C(=N\C)C(C)C(C)C.
What is the InChIKey of N,2,3,5-tetramethylheptan-4-imine?
The InChIKey is WPSSSIIWTFWQDR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N/c1-7-9(4)11(12-6)10(5)8(2)3/h8-10H,7H2,1-6H3/b12-11+.
What are the key properties of N,2,3,5-tetramethylheptan-4-imine?
N,2,3,5-tetramethylheptan-4-imine has a molecular weight of 169.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5-tetramethylheptan-4-imine is sourced from PubChem (CID 174244077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).