N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine

C9H15N — CID 163656481

IUPACN-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine
SMILESC=N[C@H]1CCCC=C[C@@H]1C
InChIInChI=1S/C9H15N/c1-8-6-4-3-5-7-9(8)10-2/h4,6,8-9H,2-3,5,7H2,1H3/t8-,9-/m0/s1
InChIKeyIQQQWYZBVMQZOK-IUCAKERBSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine

N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine (PubChem CID 163656481) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine
PubChem CID163656481
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine
SMILESC=N[C@H]1CCCC=C[C@@H]1C
InChIInChI=1S/C9H15N/c1-8-6-4-3-5-7-9(8)10-2/h4,6,8-9H,2-3,5,7H2,1H3/t8-,9-/m0/s1
InChIKeyIQQQWYZBVMQZOK-IUCAKERBSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
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-[(E)-5-(2-fluoroethyl)oct-6-en-2-yl]methanimine
CID 156038947
6-Azabicyclo[3.2.2]nona-2,6-diene
CID 67023416
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-(6-prop-1-enylcyclohex-3-en-1-yl)methanimine
CID 123299402
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
CID 123511738
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-[(Z)-4-methylnon-7-en-3-yl]methanimine
CID 134448807
N-(2-methyl-3-pent-2-enylcycloheptyl)methanimine
CID 137396889
N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
CID 138528440
N-[(E,5R)-5-methylnon-7-enyl]methanimine
CID 148273843
N-(6-ethylcyclohex-2-en-1-yl)methanimine
CID 163879657
N-[(E)-4-propan-2-yloct-6-en-3-yl]methanimine
CID 164079367

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine?
The IUPAC name of N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine (CID 163656481) is N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine is C=N[C@H]1CCCC=C[C@@H]1C.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine?
The InChIKey is IQQQWYZBVMQZOK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15N/c1-8-6-4-3-5-7-9(8)10-2/h4,6,8-9H,2-3,5,7H2,1H3/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine?
N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine is sourced from PubChem (CID 163656481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).