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

C12H26N2O — CID 63726447

IUPAC3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)CC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-3-12(4-7-13)14(2)10-11-5-8-15-9-6-11/h11-12H,3-10,13H2,1-2H3
InChIKeyLLVJDIXKPDDTFB-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

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

3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine (PubChem CID 63726447) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
PubChem CID63726447
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)CC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-3-12(4-7-13)14(2)10-11-5-8-15-9-6-11/h11-12H,3-10,13H2,1-2H3
InChIKeyLLVJDIXKPDDTFB-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
N-methanidyl-N-methyl-1-(oxan-4-yl)methanamine
CID 155624811
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
CID 63705691
1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 63705661

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine (CID 63726447) is 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine is CCC(CCN)N(C)CC1CCOCC1.
What is the InChIKey of 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine?
The InChIKey is LLVJDIXKPDDTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-12(4-7-13)14(2)10-11-5-8-15-9-6-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine?
3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxan-4-ylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 63726447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).