N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine

C13H30N2O — CID 65296234

IUPACN'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
SMILESCOCC(C)N(C)CCCC(C)(C)CCN
InChIInChI=1S/C13H30N2O/c1-12(11-16-5)15(4)10-6-7-13(2,3)8-9-14/h12H,6-11,14H2,1-5H3
InChIKeyQTHUBXSDXKHLAC-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.11
Rot. Bonds9

About N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine

N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine (PubChem CID 65296234) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
PubChem CID65296234
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
SMILESCOCC(C)N(C)CCCC(C)(C)CCN
InChIInChI=1S/C13H30N2O/c1-12(11-16-5)15(4)10-6-7-13(2,3)8-9-14/h12H,6-11,14H2,1-5H3
InChIKeyQTHUBXSDXKHLAC-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine (CID 65296234) is N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine is COCC(C)N(C)CCCC(C)(C)CCN.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine?
The InChIKey is QTHUBXSDXKHLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(11-16-5)15(4)10-6-7-13(2,3)8-9-14/h12H,6-11,14H2,1-5H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine?
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine is sourced from PubChem (CID 65296234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).