N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

C13H28N2O — CID 79652271

IUPACN',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCN(CCCC1CCCO1)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-13(2,10-14)11-15(3)8-4-6-12-7-5-9-16-12/h12H,4-11,14H2,1-3H3
InChIKeyUWJNMLLCWCTCOP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (PubChem CID 79652271) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
PubChem CID79652271
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCN(CCCC1CCCO1)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-13(2,10-14)11-15(3)8-4-6-12-7-5-9-16-12/h12H,4-11,14H2,1-3H3
InChIKeyUWJNMLLCWCTCOP-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
CID 65158469
N',2,2-trimethyl-N'-[2-(oxan-2-yloxy)ethyl]propane-1,3-diamine
CID 79652545
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 79652980
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (CID 79652271) is N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is CN(CCCC1CCCO1)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The InChIKey is UWJNMLLCWCTCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,10-14)11-15(3)8-4-6-12-7-5-9-16-12/h12H,4-11,14H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 79652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).