1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C14H29NO3 — CID 106990157

IUPAC1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNC1CCCC1(C)C
InChIInChI=1S/C14H29NO3/c1-11(9-17-4)18-10-12(16)8-15-13-6-5-7-14(13,2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyKDKJFNRXZXKVOU-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.57
Rot. Bonds8

About 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106990157) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106990157
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNC1CCCC1(C)C
InChIInChI=1S/C14H29NO3/c1-11(9-17-4)18-10-12(16)8-15-13-6-5-7-14(13,2)3/h11-13,15-16H,5-10H2,1-4H3
InChIKeyKDKJFNRXZXKVOU-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(2-ethylcyclohexyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989604
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,5-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79870883
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
N-(2-cyclopropylpropyl)-2,2-dimethylcyclopentan-1-amine
CID 115713968
4-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79856763
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106990157) is 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNC1CCCC1(C)C.
What is the InChIKey of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is KDKJFNRXZXKVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(9-17-4)18-10-12(16)8-15-13-6-5-7-14(13,2)3/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106990157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).