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

C20H25N — CID 89453072

IUPACcis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H25N/c1-17-12-13-20(14-17)21(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3/t17-,20+/m0/s1
InChIKeyYGFHLFAAACGWPV-FXAWDEMLSA-N
MW279.43 g/mol
LogP4.88
Rot. Bonds5

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

cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine (PubChem CID 89453072) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
PubChem CID89453072
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Namecis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H25N/c1-17-12-13-20(14-17)21(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3/t17-,20+/m0/s1
InChIKeyYGFHLFAAACGWPV-FXAWDEMLSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3014024
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CID 8753
Cyclizine
CID 6726
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CID 31202
Benzphetamine
CID 5311017
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N-(2-Chloroethyl)dibenzylamine
CID 5820
Alverine
CID 3678
Rolicyclidine
CID 62436
Benzododecinium Bromide
CID 23705

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine (CID 89453072) is cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine is C[C@H]1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine?
The InChIKey is YGFHLFAAACGWPV-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H25N/c1-17-12-13-20(14-17)21(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3/t17-,20+/m0/s1.
What are the key properties of cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine?
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 89453072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).