N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine

C11H26N2 — CID 137382586

IUPACN'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
SMILESCC(CCCNCCN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(11(2,3)4)6-5-8-13-9-7-12/h10,13H,5-9,12H2,1-4H3
InChIKeyAZMXONYSIKZNAO-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.00
Rot. Bonds6

About N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine

N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine (PubChem CID 137382586) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
PubChem CID137382586
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-(4,5,5-trimethylhexyl)ethane-1,2-diamine
SMILESCC(CCCNCCN)C(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(11(2,3)4)6-5-8-13-9-7-12/h10,13H,5-9,12H2,1-4H3
InChIKeyAZMXONYSIKZNAO-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylpentyl)ethane-1,2-diamine
CID 156651247
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
CID 57136754
3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520311
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
2,2,3,8,8-pentamethylnonane
CID 57491849
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300

Frequently Asked Questions

What is the IUPAC name of N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine (CID 137382586) is N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine is CC(CCCNCCN)C(C)(C)C.
What is the InChIKey of N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine?
The InChIKey is AZMXONYSIKZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(11(2,3)4)6-5-8-13-9-7-12/h10,13H,5-9,12H2,1-4H3.
What are the key properties of N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine?
N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5,5-trimethylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 137382586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).