1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol

C17H37NO2 — CID 174805893

IUPAC1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol
SMILESCCCC(O)C(CC)CO.CNC(C)CC1CCCC1
InChIInChI=1S/C9H19N.C8H18O2/c1-8(10-2)7-9-5-3-4-6-9;1-3-5-8(10)7(4-2)6-9/h8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyQIGNXVGFVQYKDW-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.34
Rot. Bonds8

About 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol

1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol (PubChem CID 174805893) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol.

Molecular Properties

Compound Name1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol
PubChem CID174805893
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol
SMILESCCCC(O)C(CC)CO.CNC(C)CC1CCCC1
InChIInChI=1S/C9H19N.C8H18O2/c1-8(10-2)7-9-5-3-4-6-9;1-3-5-8(10)7(4-2)6-9/h8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyQIGNXVGFVQYKDW-UHFFFAOYSA-N
XLogP3.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diol;2-ethylhexane-1,3-diol;propane
CID 174469450
2-[cyclopentyl(methylamino)methyl]butan-1-ol
CID 116959950
2,4-diethylpentane-1,5-diol;2-ethylhexane-1,3-diol
CID 174808442
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol
CID 175336862
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
2,3-dihydroxybutanedioic acid;2-ethylhexane-1,3-diol
CID 161019613
1-cyclopentyl-4-ethylhexane-2,5-diol
CID 103160935
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
2-propan-2-ylpentylcyclobutane
CID 161147859
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol?
The IUPAC name of 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol (CID 174805893) is 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol.
What is the SMILES notation for 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol?
The canonical SMILES for 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol is CCCC(O)C(CC)CO.CNC(C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol?
The InChIKey is QIGNXVGFVQYKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18O2/c1-8(10-2)7-9-5-3-4-6-9;1-3-5-8(10)7(4-2)6-9/h8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol?
1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol has a molecular weight of 287.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methylpropan-2-amine;2-ethylhexane-1,3-diol is sourced from PubChem (CID 174805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).