N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine

C12H26N2O — CID 63725582

IUPACN'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCCCN)CC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-14(8-4-2-3-7-13)10-12-6-5-9-15-11-12/h12H,2-11,13H2,1H3
InChIKeyHYDPFHURLWIQEI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds7

About N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine

N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine (PubChem CID 63725582) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
PubChem CID63725582
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCCCN)CC1CCCOC1
InChIInChI=1S/C12H26N2O/c1-14(8-4-2-3-7-13)10-12-6-5-9-15-11-12/h12H,2-11,13H2,1H3
InChIKeyHYDPFHURLWIQEI-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine (CID 63725582) is N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine is CN(CCCCCN)CC1CCCOC1.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
The InChIKey is HYDPFHURLWIQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-14(8-4-2-3-7-13)10-12-6-5-9-15-11-12/h12H,2-11,13H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 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)pentane-1,5-diamine is sourced from PubChem (CID 63725582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).