1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol

C26H38N2O2 — CID 165025953

IUPAC1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol
SMILESNCCCC1(O)CC1.OC1(CCCN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO.C6H13NO/c22-20(13-14-20)12-7-15-21(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19;7-5-1-2-6(8)3-4-6/h1-6,8-11,22H,7,12-17H2;8H,1-5,7H2
InChIKeyLWRXAWLJZUTDKD-UHFFFAOYSA-N
MW410.60 g/mol
LogP4.24
Rot. Bonds11

About 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol

1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol (PubChem CID 165025953) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol
PubChem CID165025953
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol
SMILESNCCCC1(O)CC1.OC1(CCCN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO.C6H13NO/c22-20(13-14-20)12-7-15-21(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19;7-5-1-2-6(8)3-4-6/h1-6,8-11,22H,7,12-17H2;8H,1-5,7H2
InChIKeyLWRXAWLJZUTDKD-UHFFFAOYSA-N
XLogP4.24
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol
CID 65480937
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
2-[[3-aminopropyl(benzyl)amino]methyl]-5-hydroxypyran-4-one
CID 107366967

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol?
The IUPAC name of 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol (CID 165025953) is 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol.
What is the SMILES notation for 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol?
The canonical SMILES for 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol is NCCCC1(O)CC1.OC1(CCCN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol?
The InChIKey is LWRXAWLJZUTDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C6H13NO/c22-20(13-14-20)12-7-15-21(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19;7-5-1-2-6(8)3-4-6/h1-6,8-11,22H,7,12-17H2;8H,1-5,7H2.
What are the key properties of 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol?
1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol has a molecular weight of 410.60 g/mol, XLogP of 4.24, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)cyclopropan-1-ol;1-[3-(dibenzylamino)propyl]cyclopropan-1-ol is sourced from PubChem (CID 165025953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).