3-N-tert-butylbutane-1,3-diamine

C8H20N2 — CID 54416805

IUPAC3-N-tert-butylbutane-1,3-diamine
SMILESCC(CCN)NC(C)(C)C
InChIInChI=1S/C8H20N2/c1-7(5-6-9)10-8(2,3)4/h7,10H,5-6,9H2,1-4H3
InChIKeyVYAMWUKXPKPEAE-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds3

About 3-N-tert-butylbutane-1,3-diamine

3-N-tert-butylbutane-1,3-diamine (PubChem CID 54416805) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-N-tert-butylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-tert-butylbutane-1,3-diamine
PubChem CID54416805
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-N-tert-butylbutane-1,3-diamine
SMILESCC(CCN)NC(C)(C)C
InChIInChI=1S/C8H20N2/c1-7(5-6-9)10-8(2,3)4/h7,10H,5-6,9H2,1-4H3
InChIKeyVYAMWUKXPKPEAE-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butylbutane-1,3-diamine?
The IUPAC name of 3-N-tert-butylbutane-1,3-diamine (CID 54416805) is 3-N-tert-butylbutane-1,3-diamine.
What is the SMILES notation for 3-N-tert-butylbutane-1,3-diamine?
The canonical SMILES for 3-N-tert-butylbutane-1,3-diamine is CC(CCN)NC(C)(C)C.
What is the InChIKey of 3-N-tert-butylbutane-1,3-diamine?
The InChIKey is VYAMWUKXPKPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(5-6-9)10-8(2,3)4/h7,10H,5-6,9H2,1-4H3.
What are the key properties of 3-N-tert-butylbutane-1,3-diamine?
3-N-tert-butylbutane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butylbutane-1,3-diamine is sourced from PubChem (CID 54416805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).