1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol

C17H37NO2 — CID 107870717

IUPAC1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H37NO2/c1-6-7-12-20-14-17(19)13-18(10-8-15(2)3)11-9-16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyCNKSQCGPLAUZQW-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.56
Rot. Bonds13

About 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol

1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol (PubChem CID 107870717) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
PubChem CID107870717
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H37NO2/c1-6-7-12-20-14-17(19)13-18(10-8-15(2)3)11-9-16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyCNKSQCGPLAUZQW-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[bis(3-methylbutyl)amino]-3-butoxypropan-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-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2S)-1-butoxypropan-2-ol
CID 54289557
3-[bis(3-butoxy-2-hydroxypropyl)amino]butan-2-one
CID 89130690
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667

Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol?
The IUPAC name of 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol (CID 107870717) is 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol.
What is the SMILES notation for 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol?
The canonical SMILES for 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol is CCCCOCC(O)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol?
The InChIKey is CNKSQCGPLAUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-6-7-12-20-14-17(19)13-18(10-8-15(2)3)11-9-16(4)5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol?
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol has a molecular weight of 287.49 g/mol, XLogP of 3.56, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol is sourced from PubChem (CID 107870717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).