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

C8H22Cl2N2 — CID 53439267

IUPACN'-tert-butylbutane-1,4-diamine;dihydrochloride
SMILESCC(C)(C)NCCCCN.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-8(2,3)10-7-5-4-6-9;;/h10H,4-7,9H2,1-3H3;2*1H
InChIKeyJFKDTPNZOJXSNR-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.96
Rot. Bonds4

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

N'-tert-butylbutane-1,4-diamine;dihydrochloride (PubChem CID 53439267) has the molecular formula C8H22Cl2N2 and a molecular weight of 217.18 g/mol. Its IUPAC name is N'-tert-butylbutane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-tert-butylbutane-1,4-diamine;dihydrochloride
PubChem CID53439267
Molecular FormulaC8H22Cl2N2
Molecular Weight217.18 g/mol
Exact Mass216.12
IUPAC NameN'-tert-butylbutane-1,4-diamine;dihydrochloride
SMILESCC(C)(C)NCCCCN.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-8(2,3)10-7-5-4-6-9;;/h10H,4-7,9H2,1-3H3;2*1H
InChIKeyJFKDTPNZOJXSNR-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.96
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;dihydrochloride?
The IUPAC name of N'-tert-butylbutane-1,4-diamine;dihydrochloride (CID 53439267) is N'-tert-butylbutane-1,4-diamine;dihydrochloride.
What is the SMILES notation for N'-tert-butylbutane-1,4-diamine;dihydrochloride?
The canonical SMILES for N'-tert-butylbutane-1,4-diamine;dihydrochloride is CC(C)(C)NCCCCN.Cl.Cl.
What is the InChIKey of N'-tert-butylbutane-1,4-diamine;dihydrochloride?
The InChIKey is JFKDTPNZOJXSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.2ClH/c1-8(2,3)10-7-5-4-6-9;;/h10H,4-7,9H2,1-3H3;2*1H.
What are the key properties of N'-tert-butylbutane-1,4-diamine;dihydrochloride?
N'-tert-butylbutane-1,4-diamine;dihydrochloride has a molecular weight of 217.18 g/mol, XLogP of 1.96, 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;dihydrochloride is sourced from PubChem (CID 53439267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).