N,N-dibenzyl-2-butylcyclopropan-1-amine

C21H27N — CID 86030986

IUPACN,N-dibenzyl-2-butylcyclopropan-1-amine
SMILESCCCCC1CC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N/c1-2-3-14-20-15-21(20)22(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKeyPDVGDRMVXOAIEV-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.27
Rot. Bonds8

About N,N-dibenzyl-2-butylcyclopropan-1-amine

N,N-dibenzyl-2-butylcyclopropan-1-amine (PubChem CID 86030986) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N,N-dibenzyl-2-butylcyclopropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-butylcyclopropan-1-amine
PubChem CID86030986
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN,N-dibenzyl-2-butylcyclopropan-1-amine
SMILESCCCCC1CC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N/c1-2-3-14-20-15-21(20)22(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKeyPDVGDRMVXOAIEV-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
CID 102066811
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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-butylcyclopropan-1-amine?
The IUPAC name of N,N-dibenzyl-2-butylcyclopropan-1-amine (CID 86030986) is N,N-dibenzyl-2-butylcyclopropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-butylcyclopropan-1-amine?
The canonical SMILES for N,N-dibenzyl-2-butylcyclopropan-1-amine is CCCCC1CC1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-butylcyclopropan-1-amine?
The InChIKey is PDVGDRMVXOAIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-2-3-14-20-15-21(20)22(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3.
What are the key properties of N,N-dibenzyl-2-butylcyclopropan-1-amine?
N,N-dibenzyl-2-butylcyclopropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-butylcyclopropan-1-amine is sourced from PubChem (CID 86030986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).