N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate

C24H33NO2 — CID 174915611

IUPACN,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
SMILESCC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1.CCOC=O
InChIInChI=1S/C21H27N.C3H6O2/c1-18(21-14-8-9-15-21)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20;1-2-5-3-4/h2-7,10-13,18,21H,8-9,14-17H2,1H3;3H,2H2,1H3
InChIKeyHDBVDMACRJTETE-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.45
Rot. Bonds8

About N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate

N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate (PubChem CID 174915611) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate.

Molecular Properties

Compound NameN,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
PubChem CID174915611
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC NameN,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
SMILESCC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1.CCOC=O
InChIInChI=1S/C21H27N.C3H6O2/c1-18(21-14-8-9-15-21)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20;1-2-5-3-4/h2-7,10-13,18,21H,8-9,14-17H2,1H3;3H,2H2,1H3
InChIKeyHDBVDMACRJTETE-UHFFFAOYSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethylbenzene;ethyl formate
CID 174903391
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
CID 120980321
bromomethylbenzene;ethyl formate
CID 160682480
N,N-dibenzyl-1-piperidin-2-ylethanamine
CID 131021341
N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
CID 18954405
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
acetaldehyde;2-cyclopentylpropylbenzene;ethane
CID 170581057
N-benzyl-1-cyclopropyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)ethanamine
CID 86901950
(2S)-1-cyclohexyl-2-(dibenzylamino)-6-methylheptan-3-one
CID 10894772
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
CID 74655069

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate?
The IUPAC name of N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate (CID 174915611) is N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate.
What is the SMILES notation for N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate?
The canonical SMILES for N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate is CC(C1CCCC1)N(Cc1ccccc1)Cc1ccccc1.CCOC=O.
What is the InChIKey of N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate?
The InChIKey is HDBVDMACRJTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N.C3H6O2/c1-18(21-14-8-9-15-21)22(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20;1-2-5-3-4/h2-7,10-13,18,21H,8-9,14-17H2,1H3;3H,2H2,1H3.
What are the key properties of N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate?
N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate has a molecular weight of 367.53 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate is sourced from PubChem (CID 174915611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).