1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

C14H31NO2 — CID 60752269

IUPAC1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)COC(C)C
InChIInChI=1S/C14H31NO2/c1-11(2)7-15(8-12(3)4)9-14(16)10-17-13(5)6/h11-14,16H,7-10H2,1-6H3
InChIKeySLBVWAZXKLSEOW-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.39
Rot. Bonds9

About 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60752269) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID60752269
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)COC(C)C
InChIInChI=1S/C14H31NO2/c1-11(2)7-15(8-12(3)4)9-14(16)10-17-13(5)6/h11-14,16H,7-10H2,1-6H3
InChIKeySLBVWAZXKLSEOW-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[bis(2-methylpropyl)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-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160531
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 115666449
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106991798
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78983735

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 60752269) is 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)CN(CC(C)C)CC(O)COC(C)C.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is SLBVWAZXKLSEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-11(2)7-15(8-12(3)4)9-14(16)10-17-13(5)6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60752269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).