2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine

C11H26N2 — CID 155282396

IUPAC2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
SMILESCCCC(CC)N(C)C(CC)CN
InChIInChI=1S/C11H26N2/c1-5-8-10(6-2)13(4)11(7-3)9-12/h10-11H,5-9,12H2,1-4H3
InChIKeyJSYMWIKTPUZXJX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.23
Rot. Bonds7

About 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine

2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine (PubChem CID 155282396) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
PubChem CID155282396
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
SMILESCCCC(CC)N(C)C(CC)CN
InChIInChI=1S/C11H26N2/c1-5-8-10(6-2)13(4)11(7-3)9-12/h10-11H,5-9,12H2,1-4H3
InChIKeyJSYMWIKTPUZXJX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
3-N-ethyl-3-N-methylhexane-1,3-diamine
CID 59020922
2-(dimethylamino)pentane-1-thiol
CID 116908743
2-N-methyl-2-N-(3-methylbutan-2-yl)hexane-1,2-diamine
CID 61353943
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
1-(1-aminobutan-2-yl)-1-methylurea
CID 82502509

Frequently Asked Questions

What is the IUPAC name of 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine (CID 155282396) is 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine is CCCC(CC)N(C)C(CC)CN.
What is the InChIKey of 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine?
The InChIKey is JSYMWIKTPUZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-8-10(6-2)13(4)11(7-3)9-12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine?
2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 155282396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).