trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine

C24H33N — CID 134998343

IUPACtrans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
SMILESCCCC[C@H]1C[C@@]1(CCC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33N/c1-3-5-16-23-18-24(23,17-4-2)25(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-15,23H,3-5,16-20H2,1-2H3/t23-,24+/m0/s1
InChIKeyHOUUDWWMNRDDAR-BJKOFHAPSA-N
MW335.54 g/mol
LogP6.44
Rot. Bonds10

About trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine

trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine (PubChem CID 134998343) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
PubChem CID134998343
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Nametrans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
SMILESCCCC[C@H]1C[C@@]1(CCC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33N/c1-3-5-16-23-18-24(23,17-4-2)25(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-15,23H,3-5,16-20H2,1-2H3/t23-,24+/m0/s1
InChIKeyHOUUDWWMNRDDAR-BJKOFHAPSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
CID 102066811
trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
CID 10549682
N-benzyl-N,1-dipropylcyclopropan-1-amine
CID 90378697
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
(2-butyl-1-phenoxycyclopropyl)oxybenzene
CID 11065916
N-benzyl-N-methylpentanamide
CID 4629611
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
butane;N,N-dibutylbutan-1-amine;bis(N,N-dimethyl-1-phenylmethanamine)
CID 90732406
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
hexakis(decane);ethylbenzene
CID 173398562
1-[1-(dibenzylamino)cyclopropyl]-3-hydroxyhexadecan-1-one
CID 89480339

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine (CID 134998343) is trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine is CCCC[C@H]1C[C@@]1(CCC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine?
The InChIKey is HOUUDWWMNRDDAR-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H33N/c1-3-5-16-23-18-24(23,17-4-2)25(19-21-12-8-6-9-13-21)20-22-14-10-7-11-15-22/h6-15,23H,3-5,16-20H2,1-2H3/t23-,24+/m0/s1.
What are the key properties of trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine?
trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine has a molecular weight of 335.54 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine is sourced from PubChem (CID 134998343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).