[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

C17H36N2O — CID 79656708

IUPAC[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCCCCN(C(C)C)C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C17H36N2O/c1-6-7-8-11-19(15(4)5)16-9-10-17(12-16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3
InChIKeyDHLAXQQDGDQEOS-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.17
Rot. Bonds9

About [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol

[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656708) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656708
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCCCCN(C(C)C)C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C17H36N2O/c1-6-7-8-11-19(15(4)5)16-9-10-17(12-16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3
InChIKeyDHLAXQQDGDQEOS-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-[cyclopropylmethyl(propyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656704
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656869
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625202
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869

Frequently Asked Questions

What is the IUPAC name of [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656708) is [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is CCCCCN(C(C)C)C1CCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is DHLAXQQDGDQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-7-8-11-19(15(4)5)16-9-10-17(12-16,13-20)18-14(2)3/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 284.49 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).