[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol

C15H31N3O — CID 79657020

IUPAC[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCCN(C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-3-7-16-15(13-19)6-5-14(12-15)18-9-4-8-17(2)10-11-18/h14,16,19H,3-13H2,1-2H3
InChIKeyGEPDWHJKOKEGJA-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds5

About [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol

[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79657020) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
PubChem CID79657020
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCCN(C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-3-7-16-15(13-19)6-5-14(12-15)18-9-4-8-17(2)10-11-18/h14,16,19H,3-13H2,1-2H3
InChIKeyGEPDWHJKOKEGJA-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647288
[3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79646989
[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 107395960
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
CID 79647008
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
1-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79637046
[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
CID 79647022
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
[3-[cyclopropylmethyl(ethyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656262

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol (CID 79657020) is [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N2CCCN(C)CC2)C1.
What is the InChIKey of [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is GEPDWHJKOKEGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-7-16-15(13-19)6-5-14(12-15)18-9-4-8-17(2)10-11-18/h14,16,19H,3-13H2,1-2H3.
What are the key properties of [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol?
[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79657020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).