N'-tert-butylbutane-1,4-diamine

C8H20N2 — CID 15853

IUPACN'-tert-butylbutane-1,4-diamine
SMILESCC(C)(C)NCCCCN
InChIInChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3
InChIKeyJAUBXQBMUWRRNS-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds4

About N'-tert-butylbutane-1,4-diamine

N'-tert-butylbutane-1,4-diamine (PubChem CID 15853) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-tert-butylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-tert-butylbutane-1,4-diamine
PubChem CID15853
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-tert-butylbutane-1,4-diamine
SMILESCC(C)(C)NCCCCN
InChIInChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3
InChIKeyJAUBXQBMUWRRNS-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
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-butylbutane-1,4-diamine?
The IUPAC name of N'-tert-butylbutane-1,4-diamine (CID 15853) is N'-tert-butylbutane-1,4-diamine.
What is the SMILES notation for N'-tert-butylbutane-1,4-diamine?
The canonical SMILES for N'-tert-butylbutane-1,4-diamine is CC(C)(C)NCCCCN.
What is the InChIKey of N'-tert-butylbutane-1,4-diamine?
The InChIKey is JAUBXQBMUWRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3.
What are the key properties of N'-tert-butylbutane-1,4-diamine?
N'-tert-butylbutane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylbutane-1,4-diamine is sourced from PubChem (CID 15853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).