N,N-dibenzylcyclobutanamine

C18H21N — CID 70822586

IUPACN,N-dibenzylcyclobutanamine
SMILESc1ccc(CN(Cc2ccccc2)C2CCC2)cc1
InChIInChI=1S/C18H21N/c1-3-8-16(9-4-1)14-19(18-12-7-13-18)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyUEDLFALONPBEQK-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.24
Rot. Bonds5

About N,N-dibenzylcyclobutanamine

N,N-dibenzylcyclobutanamine (PubChem CID 70822586) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dibenzylcyclobutanamine.

Molecular Properties

Compound NameN,N-dibenzylcyclobutanamine
PubChem CID70822586
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,N-dibenzylcyclobutanamine
SMILESc1ccc(CN(Cc2ccccc2)C2CCC2)cc1
InChIInChI=1S/C18H21N/c1-3-8-16(9-4-1)14-19(18-12-7-13-18)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyUEDLFALONPBEQK-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
(1R,2S,3S)-1-N,1-N-dibenzyl-2-deuteriocyclohexane-1,3-diamine
CID 172601592
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylcyclobutanamine?
The IUPAC name of N,N-dibenzylcyclobutanamine (CID 70822586) is N,N-dibenzylcyclobutanamine.
What is the SMILES notation for N,N-dibenzylcyclobutanamine?
The canonical SMILES for N,N-dibenzylcyclobutanamine is c1ccc(CN(Cc2ccccc2)C2CCC2)cc1.
What is the InChIKey of N,N-dibenzylcyclobutanamine?
The InChIKey is UEDLFALONPBEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-8-16(9-4-1)14-19(18-12-7-13-18)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of N,N-dibenzylcyclobutanamine?
N,N-dibenzylcyclobutanamine has a molecular weight of 251.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylcyclobutanamine is sourced from PubChem (CID 70822586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).