1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine

C15H32N2O — CID 113497188

IUPAC1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
SMILESCN(CCC(N)CC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)11-14(16)5-8-17(4)12-13-6-9-18-10-7-13/h13-14H,5-12,16H2,1-4H3
InChIKeyXRTXGIDTPSOBNQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds6

About 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine

1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine (PubChem CID 113497188) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine.

Molecular Properties

Compound Name1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
PubChem CID113497188
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
SMILESCN(CCC(N)CC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)11-14(16)5-8-17(4)12-13-6-9-18-10-7-13/h13-14H,5-12,16H2,1-4H3
InChIKeyXRTXGIDTPSOBNQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 63712799
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668

Frequently Asked Questions

What is the IUPAC name of 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine?
The IUPAC name of 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine (CID 113497188) is 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine.
What is the SMILES notation for 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine?
The canonical SMILES for 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine is CN(CCC(N)CC(C)(C)C)CC1CCOCC1.
What is the InChIKey of 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine?
The InChIKey is XRTXGIDTPSOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2,3)11-14(16)5-8-17(4)12-13-6-9-18-10-7-13/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine?
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine is sourced from PubChem (CID 113497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).