N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine

C14H32N2 — CID 59969220

IUPACN'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
SMILESCC(CNCCN)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(10-16-8-7-15)9-14(5,6)11-13(2,3)4/h12,16H,7-11,15H2,1-6H3
InChIKeyLZUDRWXSPNUZHK-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.02
Rot. Bonds7

About N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine

N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine (PubChem CID 59969220) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
PubChem CID59969220
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
SMILESCC(CNCCN)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(10-16-8-7-15)9-14(5,6)11-13(2,3)4/h12,16H,7-11,15H2,1-6H3
InChIKeyLZUDRWXSPNUZHK-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.02
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,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
1-(2-aminoethylamino)propan-2-ol;4,5-diamino-4,5-bis(2-hydroxypropyl)octane-2,7-diol
CID 88740283
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441
N'-[(2R)-3-[dimethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 99771056
N'-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 53421710
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
2,4,4,6,6,8,8-heptamethylnonylsilane
CID 150942807

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine (CID 59969220) is N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine is CC(CNCCN)CC(C)(C)CC(C)(C)C.
What is the InChIKey of N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine?
The InChIKey is LZUDRWXSPNUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(10-16-8-7-15)9-14(5,6)11-13(2,3)4/h12,16H,7-11,15H2,1-6H3.
What are the key properties of N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine?
N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine is sourced from PubChem (CID 59969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).