2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol

C18H34N2O — CID 64790779

IUPAC2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol
SMILESOCC(CN(C1CCCCC1)C1CCCCC1)NC1CC1
InChIInChI=1S/C18H34N2O/c21-14-16(19-15-11-12-15)13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h15-19,21H,1-14H2
InChIKeyQZZFTMKXZRHWMQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.07
Rot. Bonds7

About 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol

2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol (PubChem CID 64790779) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol
PubChem CID64790779
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol
SMILESOCC(CN(C1CCCCC1)C1CCCCC1)NC1CC1
InChIInChI=1S/C18H34N2O/c21-14-16(19-15-11-12-15)13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h15-19,21H,1-14H2
InChIKeyQZZFTMKXZRHWMQ-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64797687
1-N,1-N-di(cyclobutyl)-2-N-cyclopentylpentane-1,2-diamine
CID 166972958
3-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64827404
3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
CID 64795522
3-cycloheptyloxy-2-(cyclopropylamino)propan-1-ol
CID 64808714
3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64791382
2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 64797729
4-cyclopentyloxy-2-(cyclopropylamino)butan-1-ol
CID 64803445
N',N'-dicyclohexyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63915367
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol (CID 64790779) is 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol is OCC(CN(C1CCCCC1)C1CCCCC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol?
The InChIKey is QZZFTMKXZRHWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c21-14-16(19-15-11-12-15)13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h15-19,21H,1-14H2.
What are the key properties of 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol?
2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol is sourced from PubChem (CID 64790779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).