N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine

C13H28N2O — CID 63726668

IUPACN'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O/c1-3-7-14-8-5-9-15(2)11-13-6-4-10-16-12-13/h13-14H,3-12H2,1-2H3
InChIKeyNDBTUHUZUZZOOS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine

N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine (PubChem CID 63726668) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
PubChem CID63726668
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O/c1-3-7-14-8-5-9-15(2)11-13-6-4-10-16-12-13/h13-14H,3-12H2,1-2H3
InChIKeyNDBTUHUZUZZOOS-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine (CID 63726668) is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine is CCCNCCCN(C)CC1CCCOC1.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine?
The InChIKey is NDBTUHUZUZZOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-7-14-8-5-9-15(2)11-13-6-4-10-16-12-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63726668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).