2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine

C14H30N2O — CID 83054828

IUPAC2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-4-6-14(12-15-9-5-2)16(3)13-7-10-17-11-8-13/h13-15H,4-12H2,1-3H3
InChIKeyWYDJSBPEFIHBJY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine

2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine (PubChem CID 83054828) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
PubChem CID83054828
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-4-6-14(12-15-9-5-2)16(3)13-7-10-17-11-8-13/h13-15H,4-12H2,1-3H3
InChIKeyWYDJSBPEFIHBJY-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

3-N,2-dimethyl-3-N-(oxolan-3-yl)-1-N-propylbutane-1,3-diamine
CID 82754797
2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62432388
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
CID 83043017
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123232
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 83054646
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
1-N,2-N-dimethyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 83055086
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine (CID 83054828) is 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine is CCCNCC(CCC)N(C)C1CCOCC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine?
The InChIKey is WYDJSBPEFIHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-14(12-15-9-5-2)16(3)13-7-10-17-11-8-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine?
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine is sourced from PubChem (CID 83054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).