1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine

C11H26N2 — CID 60852628

IUPAC1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-6-7-11(12)9-13(4)8-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyLNERBONEWKRMNX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine

1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine (PubChem CID 60852628) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
PubChem CID60852628
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-6-7-11(12)9-13(4)8-10(2)3/h10-11H,5-9,12H2,1-4H3
InChIKeyLNERBONEWKRMNX-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
3-amino-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900718
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,2-diamine
CID 63700771
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
icosane-5,10,16-triamine
CID 88870264
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine (CID 60852628) is 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine is CCCCC(N)CN(C)CC(C)C.
What is the InChIKey of 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine?
The InChIKey is LNERBONEWKRMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-6-7-11(12)9-13(4)8-10(2)3/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine?
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine is sourced from PubChem (CID 60852628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).