1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol

C14H29NO4 — CID 106989862

IUPAC1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC1(CO)CCCC(C)C1
InChIInChI=1S/C14H29NO4/c1-12-4-3-5-14(8-12,11-16)15-9-13(17)10-19-7-6-18-2/h12-13,15-17H,3-11H2,1-2H3
InChIKeyQZQNIVRNDPKRRI-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.54
Rot. Bonds9

About 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol

1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989862) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989862
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC1(CO)CCCC(C)C1
InChIInChI=1S/C14H29NO4/c1-12-4-3-5-14(8-12,11-16)15-9-13(17)10-19-7-6-18-2/h12-13,15-17H,3-11H2,1-2H3
InChIKeyQZQNIVRNDPKRRI-UHFFFAOYSA-N
XLogP0.54
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyloxy-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol
CID 62552684
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
CID 107263123
1-butoxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 107262769
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 62551135
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064
1-(2,6-difluorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551674

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106989862) is 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC1(CO)CCCC(C)C1.
What is the InChIKey of 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is QZQNIVRNDPKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-12-4-3-5-14(8-12,11-16)15-9-13(17)10-19-7-6-18-2/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).