N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine

C12H23NO — CID 121014630

IUPACN-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine
SMILESCCCC/N=C1\CCC(OC)C1(C)C
InChIInChI=1S/C12H23NO/c1-5-6-9-13-10-7-8-11(14-4)12(10,2)3/h11H,5-9H2,1-4H3/b13-10+
InChIKeySOWXSYPZZLIRPZ-JLHYYAGUSA-N
MW197.32 g/mol
LogP3.06
Rot. Bonds4

About N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine

N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine (PubChem CID 121014630) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine.

Molecular Properties

Compound NameN-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine
PubChem CID121014630
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine
SMILESCCCC/N=C1\CCC(OC)C1(C)C
InChIInChI=1S/C12H23NO/c1-5-6-9-13-10-7-8-11(14-4)12(10,2)3/h11H,5-9H2,1-4H3/b13-10+
InChIKeySOWXSYPZZLIRPZ-JLHYYAGUSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine
CID 58330422
3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
CID 66366208
(5R)-5-methoxy-6,6-dimethyloxan-2-one
CID 101461458
5-methoxy-6,6-dimethyloxan-2-one
CID 153365185
4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
CID 163513706
heptane;methoxycyclopentane
CID 131735357
1-azidobutane
CID 4563922
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
N-hexyl-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-imine
CID 3651775
2-bromo-1,1-dimethyl-4-pentoxycyclobutane
CID 66346400
N-butyl-4-(1-iodoethyl)-1,3-dithiolan-2-imine
CID 102480042
(8R,9S,13S,14S,17S)-3-butoxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 70796062

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine?
The IUPAC name of N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine (CID 121014630) is N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine.
What is the SMILES notation for N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine?
The canonical SMILES for N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine is CCCC/N=C1\CCC(OC)C1(C)C.
What is the InChIKey of N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine?
The InChIKey is SOWXSYPZZLIRPZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-9-13-10-7-8-11(14-4)12(10,2)3/h11H,5-9H2,1-4H3/b13-10+.
What are the key properties of N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine?
N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine has a molecular weight of 197.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxy-2,2-dimethylcyclopentan-1-imine is sourced from PubChem (CID 121014630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).