2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

C15H32N2O — CID 113483736

IUPAC2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(C)(CN)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-6-7-9-17(13(2)3)15(4,12-16)14-8-10-18-11-14/h13-14H,5-12,16H2,1-4H3
InChIKeyJEMPTBQGIOVMMM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds8

About 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 113483736) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID113483736
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(C)(CN)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-6-7-9-17(13(2)3)15(4,12-16)14-8-10-18-11-14/h13-14H,5-12,16H2,1-4H3
InChIKeyJEMPTBQGIOVMMM-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113489996
2-N-methyl-2-N-(1-methylpiperidin-4-yl)-2-(oxolan-3-yl)propane-1,2-diamine
CID 113483692
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
2-(oxolan-3-yl)butane-1,2-diamine
CID 130503517
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
CID 131113950
1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 63471199
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
4-(2-methylpentan-2-yl)oxane
CID 129015452
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (CID 113483736) is 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is CCCCCN(C(C)C)C(C)(CN)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is JEMPTBQGIOVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-7-9-17(13(2)3)15(4,12-16)14-8-10-18-11-14/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 113483736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).