N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine

C10H19N — CID 142464992

IUPACN-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine
SMILESC=N[C@@H](C(=C)C(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8,10H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyCTSNNKFOXMKGIV-SNVBAGLBSA-N
MW153.27 g/mol
LogP2.92
Rot. Bonds4

About N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine

N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine (PubChem CID 142464992) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine
PubChem CID142464992
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine
SMILESC=N[C@@H](C(=C)C(C)C)C(C)C
InChIInChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8,10H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyCTSNNKFOXMKGIV-SNVBAGLBSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.92
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-(4,5-dimethylhept-1-en-3-yl)methanimine
CID 91132853
N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
CID 126690373
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N,N,2,5-tetramethylhex-1-en-3-amine
CID 135213995
N-(4-methyl-3-methylidenehexan-2-yl)ethanimine
CID 137536264
N-(2,4-dimethylpent-4-enyl)methanimine;ethane
CID 143707442
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)methanimine
CID 156063394
N-(4-methylhex-5-en-2-yl)methanimine
CID 163872435
N-(3,4-dimethylpent-4-en-2-yl)methanimine
CID 164104796
N-[(Z)-2-propan-2-ylpent-1-enyl]methanimine
CID 166813325
N-(5,6-dimethylhept-6-enyl)methanimine
CID 168178474
N-[(E)-2-propan-2-ylpent-1-enyl]methanimine
CID 168220999

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine?
The IUPAC name of N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine (CID 142464992) is N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine.
What is the SMILES notation for N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine?
The canonical SMILES for N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine is C=N[C@@H](C(=C)C(C)C)C(C)C.
What is the InChIKey of N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine?
The InChIKey is CTSNNKFOXMKGIV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)9(5)10(11-6)8(3)4/h7-8,10H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine?
N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine has a molecular weight of 153.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine is sourced from PubChem (CID 142464992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).