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

C14H30N2O — CID 63712871

IUPACN-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)9-13-7-6-8-17-10-13/h13,15H,5-12H2,1-4H3
InChIKeyYCSQJHQEUFSMKK-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds7

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

N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine (PubChem CID 63712871) 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-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
PubChem CID63712871
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)9-13-7-6-8-17-10-13/h13,15H,5-12H2,1-4H3
InChIKeyYCSQJHQEUFSMKK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 64789409
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine (CID 63712871) is N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine is CCNCC(C)(C)CN(C)CC1CCCOC1.
What is the InChIKey of N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is YCSQJHQEUFSMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-11-14(2,3)12-16(4)9-13-7-6-8-17-10-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 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-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63712871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).