N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine

C14H30N2O — CID 62431846

IUPACN'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-3-9-15-10-5-4-6-11-16(2)14-7-12-17-13-8-14/h14-15H,3-13H2,1-2H3
InChIKeyAASPKGJQSWPFSL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds9

About N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine

N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine (PubChem CID 62431846) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
PubChem CID62431846
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-3-9-15-10-5-4-6-11-16(2)14-7-12-17-13-8-14/h14-15H,3-13H2,1-2H3
InChIKeyAASPKGJQSWPFSL-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N-butyl-N-methyloxolan-3-amine
CID 154189060
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 82745275
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine (CID 62431846) is N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine is CCCNCCCCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine?
The InChIKey is AASPKGJQSWPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-9-15-10-5-4-6-11-16(2)14-7-12-17-13-8-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine?
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 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-4-yl)-N-propylpentane-1,5-diamine is sourced from PubChem (CID 62431846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).