3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol

C13H27NO2 — CID 66091276

IUPAC3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
SMILESCCCC1CC(NCC(C)CCO)CCO1
InChIInChI=1S/C13H27NO2/c1-3-4-13-9-12(6-8-16-13)14-10-11(2)5-7-15/h11-15H,3-10H2,1-2H3
InChIKeyWJRLYJWRGOEGQN-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol

3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol (PubChem CID 66091276) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
PubChem CID66091276
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
SMILESCCCC1CC(NCC(C)CCO)CCO1
InChIInChI=1S/C13H27NO2/c1-3-4-13-9-12(6-8-16-13)14-10-11(2)5-7-15/h11-15H,3-10H2,1-2H3
InChIKeyWJRLYJWRGOEGQN-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021512
3-methyl-4-(thietan-3-ylamino)butan-1-ol
CID 135393311
N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
CID 103991250
4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115439
N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
CID 110021505
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
CID 103991149
2,6-dimethyl-N-(2-propyloxan-4-yl)piperidin-1-amine
CID 83007696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol (CID 66091276) is 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol is CCCC1CC(NCC(C)CCO)CCO1.
What is the InChIKey of 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol?
The InChIKey is WJRLYJWRGOEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-4-13-9-12(6-8-16-13)14-10-11(2)5-7-15/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol?
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 66091276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).