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

C14H29NO2 — CID 103991084

IUPAC4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
SMILESCCCC1CC(NCC(O)CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-4-5-14-9-12(6-7-17-14)15-10-13(16)8-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyITYGNWBBHYPXIH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds7

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

4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol (PubChem CID 103991084) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
PubChem CID103991084
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
SMILESCCCC1CC(NCC(O)CC(C)C)CCO1
InChIInChI=1S/C14H29NO2/c1-4-5-14-9-12(6-7-17-14)15-10-13(16)8-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyITYGNWBBHYPXIH-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
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
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
CID 107151769
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
1-[(2-methyloxan-4-yl)amino]pentan-2-ol
CID 115898430
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
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
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
CID 103917750
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol (CID 103991084) is 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol is CCCC1CC(NCC(O)CC(C)C)CCO1.
What is the InChIKey of 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol?
The InChIKey is ITYGNWBBHYPXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-14-9-12(6-7-17-14)15-10-13(16)8-11(2)3/h11-16H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol?
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 103991084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).