1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine

C11H24N2 — CID 60984085

IUPAC1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC1CC1
InChIInChI=1S/C11H24N2/c1-3-4-5-11(12)9-13(2)8-10-6-7-10/h10-11H,3-9,12H2,1-2H3
InChIKeyJCESAFJCKYMPBT-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds7

About 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine (PubChem CID 60984085) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
PubChem CID60984085
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)CC1CC1
InChIInChI=1S/C11H24N2/c1-3-4-5-11(12)9-13(2)8-10-6-7-10/h10-11H,3-9,12H2,1-2H3
InChIKeyJCESAFJCKYMPBT-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61435818
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
CID 54948683
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
CID 115119915
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
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine (CID 60984085) is 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine is CCCCC(N)CN(C)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine?
The InChIKey is JCESAFJCKYMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-5-11(12)9-13(2)8-10-6-7-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 60984085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).