cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine

C8H17NO — CID 146669645

IUPACcis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine
SMILESCN[C@H]1C[C@@H](C)CC1OC
InChIInChI=1S/C8H17NO/c1-6-4-7(9-2)8(5-6)10-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m1/s1
InChIKeyVIACGNLOUPQLGW-KVARREAHSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds2

About cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine

cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine (PubChem CID 146669645) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine
PubChem CID146669645
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine
SMILESCN[C@H]1C[C@@H](C)CC1OC
InChIInChI=1S/C8H17NO/c1-6-4-7(9-2)8(5-6)10-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m1/s1
InChIKeyVIACGNLOUPQLGW-KVARREAHSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine?
The IUPAC name of cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine (CID 146669645) is cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine is CN[C@H]1C[C@@H](C)CC1OC.
What is the InChIKey of cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine?
The InChIKey is VIACGNLOUPQLGW-KVARREAHSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-4-7(9-2)8(5-6)10-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m1/s1.
What are the key properties of cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine?
cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-2-methoxy-N,4-dimethylcyclopentan-1-amine is sourced from PubChem (CID 146669645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).