N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine

C12H26N2O — CID 63726664

IUPACN'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-3-6-13-7-8-14(2)10-12-5-4-9-15-11-12/h12-13H,3-11H2,1-2H3
InChIKeyVWXYIHZKGKWQKK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine

N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine (PubChem CID 63726664) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
PubChem CID63726664
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-3-6-13-7-8-14(2)10-12-5-4-9-15-11-12/h12-13H,3-11H2,1-2H3
InChIKeyVWXYIHZKGKWQKK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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-propylpropane-1,3-diamine
CID 63726668
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine (CID 63726664) is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine is CCCNCCN(C)CC1CCCOC1.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
The InChIKey is VWXYIHZKGKWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-6-13-7-8-14(2)10-12-5-4-9-15-11-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 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-propylethane-1,2-diamine is sourced from PubChem (CID 63726664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).