(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol

C15H33NO2 — CID 149384579

IUPAC(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol
SMILESCC(C)CN[C@H](O)CC[C@@H](C)CCCOC(C)C
InChIInChI=1S/C15H33NO2/c1-12(2)11-16-15(17)9-8-14(5)7-6-10-18-13(3)4/h12-17H,6-11H2,1-5H3/t14-,15+/m0/s1
InChIKeyYMIFAVUJUQCCRW-LSDHHAIUSA-N
MW259.43 g/mol
LogP3.17
Rot. Bonds11

About (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol

(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol (PubChem CID 149384579) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol
PubChem CID149384579
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol
SMILESCC(C)CN[C@H](O)CC[C@@H](C)CCCOC(C)C
InChIInChI=1S/C15H33NO2/c1-12(2)11-16-15(17)9-8-14(5)7-6-10-18-13(3)4/h12-17H,6-11H2,1-5H3/t14-,15+/m0/s1
InChIKeyYMIFAVUJUQCCRW-LSDHHAIUSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-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

4-propan-2-yloxybutane-1,1-diol
CID 87074397
1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
CID 18720683
6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane
CID 162457350
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
1,6-di(propan-2-yloxy)hexane
CID 10899702
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
CID 103227898
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
N-(3-propan-2-yloxypropyl)pentan-3-amine
CID 28727128
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol?
The IUPAC name of (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol (CID 149384579) is (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol.
What is the SMILES notation for (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol?
The canonical SMILES for (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol is CC(C)CN[C@H](O)CC[C@@H](C)CCCOC(C)C.
What is the InChIKey of (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol?
The InChIKey is YMIFAVUJUQCCRW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H33NO2/c1-12(2)11-16-15(17)9-8-14(5)7-6-10-18-13(3)4/h12-17H,6-11H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol?
(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol is sourced from PubChem (CID 149384579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).