1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine

C12H28N2O — CID 81055682

IUPAC1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-12(13)10-14(4)8-9-15-11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyVCFRGQRTTCMWPN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

About 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine

1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine (PubChem CID 81055682) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
PubChem CID81055682
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-12(13)10-14(4)8-9-15-11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyVCFRGQRTTCMWPN-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81102660
1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
CID 63700771
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
1-N-methyl-4-phenyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 114929811
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81056584
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
2,2-dimethoxy-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81057838

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine (CID 81055682) is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine is CCCCC(N)CN(C)CCOC(C)C.
What is the InChIKey of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The InChIKey is VCFRGQRTTCMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-7-12(13)10-14(4)8-9-15-11(2)3/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine is sourced from PubChem (CID 81055682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).