1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine

C13H28N2O — CID 82735203

IUPAC1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
SMILESCCC(C)C(CN(C)C1CCOC1C)NC
InChIInChI=1S/C13H28N2O/c1-6-10(2)12(14-4)9-15(5)13-7-8-16-11(13)3/h10-14H,6-9H2,1-5H3
InChIKeyULKVXZDSWLVSHO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine

1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine (PubChem CID 82735203) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
PubChem CID82735203
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
SMILESCCC(C)C(CN(C)C1CCOC1C)NC
InChIInChI=1S/C13H28N2O/c1-6-10(2)12(14-4)9-15(5)13-7-8-16-11(13)3/h10-14H,6-9H2,1-5H3
InChIKeyULKVXZDSWLVSHO-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-[methyl-(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82748351
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
CID 82749590
2-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82743952
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
CID 82739225
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738020
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82740401

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine (CID 82735203) is 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine is CCC(C)C(CN(C)C1CCOC1C)NC.
What is the InChIKey of 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine?
The InChIKey is ULKVXZDSWLVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-10(2)12(14-4)9-15(5)13-7-8-16-11(13)3/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine?
1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 82735203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).