1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

C15H31NO2 — CID 78983735

IUPAC1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)CN(CC(O)COC(C)C)C1CCCC1
InChIInChI=1S/C15H31NO2/c1-12(2)9-16(14-7-5-6-8-14)10-15(17)11-18-13(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyZZNODVSPCWEYNX-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.67
Rot. Bonds8

About 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 78983735) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID78983735
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)CN(CC(O)COC(C)C)C1CCCC1
InChIInChI=1S/C15H31NO2/c1-12(2)9-16(14-7-5-6-8-14)10-15(17)11-18-13(3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyZZNODVSPCWEYNX-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 78983735) is 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)CN(CC(O)COC(C)C)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZZNODVSPCWEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)9-16(14-7-5-6-8-14)10-15(17)11-18-13(3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78983735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).