1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol

C11H26N2O — CID 43165831

IUPAC1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCN(C)CC(O)CNC(C)C
InChIInChI=1S/C11H26N2O/c1-5-6-7-13(4)9-11(14)8-12-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyHDSKERZPQUAURW-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds8

About 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol

1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43165831) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID43165831
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCN(C)CC(O)CNC(C)C
InChIInChI=1S/C11H26N2O/c1-5-6-7-13(4)9-11(14)8-12-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyHDSKERZPQUAURW-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43294743
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-[butyl(methyl)amino]butane-2,3-diol
CID 123630501
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245
3-[butyl(methyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 163987665
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-[3-[2-hydroxybutyl(methyl)amino]propylamino]-3-methyltridecan-2-ol
CID 89065845
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol (CID 43165831) is 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol is CCCCN(C)CC(O)CNC(C)C.
What is the InChIKey of 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is HDSKERZPQUAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-6-7-13(4)9-11(14)8-12-10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol?
1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43165831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).