[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

C16H32N2O2 — CID 79656830

IUPAC[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N(C)CC2CCOCC2)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-16(12-19)7-4-15(10-16)18(3)11-14-5-8-20-9-6-14/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIVTFUOVNHVRAHY-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds6

About [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656830) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656830
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N(C)CC2CCOCC2)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-16(12-19)7-4-15(10-16)18(3)11-14-5-8-20-9-6-14/h13-15,17,19H,4-12H2,1-3H3
InChIKeyIVTFUOVNHVRAHY-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-[cyclopropylmethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656704
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79644944

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656830) is [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(N(C)CC2CCOCC2)C1.
What is the InChIKey of [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is IVTFUOVNHVRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)17-16(12-19)7-4-15(10-16)18(3)11-14-5-8-20-9-6-14/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).