N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine

C13H29N3O — CID 113462221

IUPACN,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(CC1COCCN1)N(C)CCCN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-13-11-17-9-6-14-13)16(4)8-5-7-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyPBRJQMLRRRTRAH-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds7

About N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine (PubChem CID 113462221) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine
PubChem CID113462221
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(CC1COCCN1)N(C)CCCN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-13-11-17-9-6-14-13)16(4)8-5-7-15(2)3/h12-14H,5-11H2,1-4H3
InChIKeyPBRJQMLRRRTRAH-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14145422
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1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
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CID 3151943
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
4-(Morpholin-4-yl)butan-2-amine
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3-(Morpholin-4-yl)butan-1-amine
CID 20069556
1-(2-Methoxyethyl)piperidin-4-amine
CID 20119121
Methyl(2-(morpholin-3-yl)ethyl)amine
CID 53849357
1-(Oxan-3-yl)piperazine
CID 57586038
Dimethyl[3-(morpholin-2-yl)propyl]amine
CID 66882659

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine (CID 113462221) is N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine is CC(CC1COCCN1)N(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine?
The InChIKey is PBRJQMLRRRTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(10-13-11-17-9-6-14-13)16(4)8-5-7-15(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 113462221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).