N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine

C9H17N — CID 163638396

IUPACN-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine
SMILESC=CC(C)C(C)[C@@H](C)N=C
InChIInChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6-9H,1,5H2,2-4H3/t7?,8?,9-/m1/s1
InChIKeyICDURBCWQBCMRO-AMDVSUOASA-N
MW139.24 g/mol
LogP2.53
Rot. Bonds4

About N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine

N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine (PubChem CID 163638396) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine
PubChem CID163638396
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine
SMILESC=CC(C)C(C)[C@@H](C)N=C
InChIInChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6-9H,1,5H2,2-4H3/t7?,8?,9-/m1/s1
InChIKeyICDURBCWQBCMRO-AMDVSUOASA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine?
The IUPAC name of N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine (CID 163638396) is N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine.
What is the SMILES notation for N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine?
The canonical SMILES for N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine is C=CC(C)C(C)[C@@H](C)N=C.
What is the InChIKey of N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine?
The InChIKey is ICDURBCWQBCMRO-AMDVSUOASA-N. The full InChI is InChI=1S/C9H17N/c1-6-7(2)8(3)9(4)10-5/h6-9H,1,5H2,2-4H3/t7?,8?,9-/m1/s1.
What are the key properties of N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine?
N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine has a molecular weight of 139.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine is sourced from PubChem (CID 163638396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).