2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine

C13H28N2O — CID 82754425

IUPAC2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)C1CCOC1C
InChIInChI=1S/C13H28N2O/c1-6-12(9-14-10(2)3)15(5)13-7-8-16-11(13)4/h10-14H,6-9H2,1-5H3
InChIKeyOQGUQPVWBGCDLH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 82754425) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID82754425
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)C1CCOC1C
InChIInChI=1S/C13H28N2O/c1-6-12(9-14-10(2)3)15(5)13-7-8-16-11(13)4/h10-14H,6-9H2,1-5H3
InChIKeyOQGUQPVWBGCDLH-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62432388
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
CID 82738997
1-N,2-N,3-trimethyl-1-N-(2-methyloxolan-3-yl)pentane-1,2-diamine
CID 82735203
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
CID 103391992
2-N-cyclopropyl-2-N-methyl-1-N-(2-methyloxolan-3-yl)propane-1,2-diamine
CID 115751304

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine (CID 82754425) is 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(C)C1CCOC1C.
What is the InChIKey of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is OQGUQPVWBGCDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-12(9-14-10(2)3)15(5)13-7-8-16-11(13)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 82754425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).