cyclopentyl-(4-methylazepan-1-yl)methanimine

C13H24N2 — CID 63625841

IUPACcyclopentyl-(4-methylazepan-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCCC(C)CC1
InChIInChI=1S/C13H24N2/c1-11-5-4-9-15(10-8-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+
InChIKeyVFCSEKBZPIZZKX-BUHFOSPRSA-N
MW208.35 g/mol
LogP3.28
Rot. Bonds1

About cyclopentyl-(4-methylazepan-1-yl)methanimine

cyclopentyl-(4-methylazepan-1-yl)methanimine (PubChem CID 63625841) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is cyclopentyl-(4-methylazepan-1-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl-(4-methylazepan-1-yl)methanimine
PubChem CID63625841
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Namecyclopentyl-(4-methylazepan-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCCC(C)CC1
InChIInChI=1S/C13H24N2/c1-11-5-4-9-15(10-8-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+
InChIKeyVFCSEKBZPIZZKX-BUHFOSPRSA-N
XLogP3.28
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
CID 55159975
N-(diaminomethylidene)-4-methylazepane-1-carboximidamide
CID 83037348
4-(cyclopentanecarboximidoyl)-1-methyl-1,4-diazepan-2-one
CID 102892860
(2-methylcyclopentyl)-piperidin-1-ylmethanimine
CID 131031712
cyclopropyl(1,4-oxazepan-4-yl)methanimine
CID 63181568
cyclopropyl-(2-methylpiperidin-1-yl)methanimine
CID 63178526
methyl 4-methylazocane-1-carboxylate
CID 91583832

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-methylazepan-1-yl)methanimine?
The IUPAC name of cyclopentyl-(4-methylazepan-1-yl)methanimine (CID 63625841) is cyclopentyl-(4-methylazepan-1-yl)methanimine.
What is the SMILES notation for cyclopentyl-(4-methylazepan-1-yl)methanimine?
The canonical SMILES for cyclopentyl-(4-methylazepan-1-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCCC(C)CC1.
What is the InChIKey of cyclopentyl-(4-methylazepan-1-yl)methanimine?
The InChIKey is VFCSEKBZPIZZKX-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2/c1-11-5-4-9-15(10-8-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+.
What are the key properties of cyclopentyl-(4-methylazepan-1-yl)methanimine?
cyclopentyl-(4-methylazepan-1-yl)methanimine has a molecular weight of 208.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-methylazepan-1-yl)methanimine is sourced from PubChem (CID 63625841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).