1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine

C14H30N2O — CID 106799877

IUPAC1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
SMILESCCC(CCCN(C)CC1CCCOC1)NC
InChIInChI=1S/C14H30N2O/c1-4-14(15-2)8-5-9-16(3)11-13-7-6-10-17-12-13/h13-15H,4-12H2,1-3H3
InChIKeyVZFHGIAKAZAZQD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine

1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine (PubChem CID 106799877) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
PubChem CID106799877
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
SMILESCCC(CCCN(C)CC1CCCOC1)NC
InChIInChI=1S/C14H30N2O/c1-4-14(15-2)8-5-9-16(3)11-13-7-6-10-17-12-13/h13-15H,4-12H2,1-3H3
InChIKeyVZFHGIAKAZAZQD-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-propylbutane-1,4-diamine
CID 63705816
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine (CID 106799877) is 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine is CCC(CCCN(C)CC1CCCOC1)NC.
What is the InChIKey of 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine?
The InChIKey is VZFHGIAKAZAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(15-2)8-5-9-16(3)11-13-7-6-10-17-12-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine?
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine is sourced from PubChem (CID 106799877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).