1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol

C14H29NO2 — CID 60704158

IUPAC1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)17-11-14(16)10-15(3)13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3
InChIKeyRDYWRKLPEMVVAK-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds6

About 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol

1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60704158) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID60704158
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-12(2)17-11-14(16)10-15(3)13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3
InChIKeyRDYWRKLPEMVVAK-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78983735
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78896602
(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 97018679
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
2-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 109394088
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119

Frequently Asked Questions

What is the IUPAC name of 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol (CID 60704158) is 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)C1CCCCCC1.
What is the InChIKey of 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is RDYWRKLPEMVVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)17-11-14(16)10-15(3)13-8-6-4-5-7-9-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60704158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).