cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine

C9H19NO — CID 95368704

IUPACcis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
SMILESCOCCN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-8-3-4-9(7-8)10-5-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyUKTBJVVCFQRSAE-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine

cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine (PubChem CID 95368704) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
PubChem CID95368704
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namecis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
SMILESCOCCN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-8-3-4-9(7-8)10-5-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyUKTBJVVCFQRSAE-DTWKUNHWSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine (CID 95368704) is cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine is COCCN[C@@H]1CC[C@H](C)C1.
What is the InChIKey of cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine?
The InChIKey is UKTBJVVCFQRSAE-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-3-4-9(7-8)10-5-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine?
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 95368704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).