N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine

C14H32N2 — CID 79257058

IUPACN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)CC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h15-16H,9-11H2,1-8H3
InChIKeyAUYQNKXYISZCEP-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.18
Rot. Bonds5

About N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine

N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine (PubChem CID 79257058) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
PubChem CID79257058
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)CC(C)(C)NCCNC(C)(C)C
InChIInChI=1S/C14H32N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h15-16H,9-11H2,1-8H3
InChIKeyAUYQNKXYISZCEP-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine (CID 79257058) is N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine is CC(C)(C)CC(C)(C)NCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is AUYQNKXYISZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h15-16H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine?
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79257058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).