N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine

C12H26N2O — CID 43192138

IUPACN,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1CCOC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-7-11-5-6-15-8-11/h11,13H,5-10H2,1-4H3
InChIKeyKYTNWWSUQIDEKC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.20
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine (PubChem CID 43192138) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
PubChem CID43192138
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1CCOC1
InChIInChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-7-11-5-6-15-8-11/h11,13H,5-10H2,1-4H3
InChIKeyKYTNWWSUQIDEKC-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine (CID 43192138) is N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine is CN(C)CC(C)(C)CNCC1CCOC1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is KYTNWWSUQIDEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-14(3)4)9-13-7-11-5-6-15-8-11/h11,13H,5-10H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43192138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).