3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol

C18H39NO2 — CID 18184043

IUPAC3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
SMILESCCCCCCCCCC(C)(C)N(CCCO)CCCO
InChIInChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-13-18(2,3)19(14-11-16-20)15-12-17-21/h20-21H,4-17H2,1-3H3
InChIKeyZXNBEMCCBQKDKR-UHFFFAOYSA-N
MW301.52 g/mol
LogP3.97
Rot. Bonds15

About 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol

3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol (PubChem CID 18184043) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
PubChem CID18184043
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
SMILESCCCCCCCCCC(C)(C)N(CCCO)CCCO
InChIInChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-13-18(2,3)19(14-11-16-20)15-12-17-21/h20-21H,4-17H2,1-3H3
InChIKeyZXNBEMCCBQKDKR-UHFFFAOYSA-N
XLogP3.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
CID 139723218
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947
N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
CID 162197438
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol (CID 18184043) is 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol is CCCCCCCCCC(C)(C)N(CCCO)CCCO.
What is the InChIKey of 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol?
The InChIKey is ZXNBEMCCBQKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-13-18(2,3)19(14-11-16-20)15-12-17-21/h20-21H,4-17H2,1-3H3.
What are the key properties of 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol?
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 3.97, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 18184043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).