N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C14H30N2O — CID 62256953

IUPACN-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)10-13-8-6-7-9-17-13/h13,15H,5-12H2,1-4H3
InChIKeyORNIQHNPBBPGIY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 62256953) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID62256953
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)CC1CCCCO1
InChIInChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)10-13-8-6-7-9-17-13/h13,15H,5-12H2,1-4H3
InChIKeyORNIQHNPBBPGIY-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 62256953) is N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CCNCC(C)(C)CN(C)CC1CCCCO1.
What is the InChIKey of N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is ORNIQHNPBBPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)10-13-8-6-7-9-17-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2,2-trimethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).