[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol

C16H34N2O — CID 79656145

IUPAC[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-9-17-16(12-19)8-7-15(11-16)18(5)14(4)10-13(2)3/h13-15,17,19H,6-12H2,1-5H3
InChIKeyOKGFTHAIUGQUGC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol

[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79656145) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
PubChem CID79656145
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-9-17-16(12-19)8-7-15(11-16)18(5)14(4)10-13(2)3/h13-15,17,19H,6-12H2,1-5H3
InChIKeyOKGFTHAIUGQUGC-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810
methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79647415
[1-amino-3-[methyl(4-methylpentan-2-yl)amino]cyclopentyl]methanol
CID 79656226
[1-(methylamino)-3-[methyl(pentan-2-yl)amino]cyclopentyl]methanol
CID 79656781
[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655803
[3-[cyclopropylmethyl(ethyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656262
[1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentyl]methanol
CID 79656684
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868
[1-(ethylamino)-3-[methyl(pentan-2-yl)amino]cyclohexyl]methanol
CID 79640702
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
CID 79647008
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol (CID 79656145) is [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N(C)C(C)CC(C)C)C1.
What is the InChIKey of [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is OKGFTHAIUGQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-9-17-16(12-19)8-7-15(11-16)18(5)14(4)10-13(2)3/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol?
[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).