N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine

C14H30N2O — CID 63705816

IUPACN'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-3-8-15-9-4-5-10-16(2)12-14-7-6-11-17-13-14/h14-15H,3-13H2,1-2H3
InChIKeyFNDOEALSHICSRC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine

N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine (PubChem CID 63705816) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
PubChem CID63705816
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)CC1CCCOC1
InChIInChI=1S/C14H30N2O/c1-3-8-15-9-4-5-10-16(2)12-14-7-6-11-17-13-14/h14-15H,3-13H2,1-2H3
InChIKeyFNDOEALSHICSRC-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

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'-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'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine (CID 63705816) is N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine is CCCNCCCCN(C)CC1CCCOC1.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine?
The InChIKey is FNDOEALSHICSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-8-15-9-4-5-10-16(2)12-14-7-6-11-17-13-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 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-propylbutane-1,4-diamine is sourced from PubChem (CID 63705816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).