3-methyl-2-N-propan-2-ylbutane-1,2-diamine

C8H20N2 — CID 20813766

IUPAC3-methyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NC(CN)C(C)C
InChIInChI=1S/C8H20N2/c1-6(2)8(5-9)10-7(3)4/h6-8,10H,5,9H2,1-4H3
InChIKeySWSVIKNQCIPREU-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-2-N-propan-2-ylbutane-1,2-diamine

3-methyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 20813766) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-methyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID20813766
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-methyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NC(CN)C(C)C
InChIInChI=1S/C8H20N2/c1-6(2)8(5-9)10-7(3)4/h6-8,10H,5,9H2,1-4H3
InChIKeySWSVIKNQCIPREU-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-propan-2-ylbutane-1,2-diamine (CID 20813766) is 3-methyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-propan-2-ylbutane-1,2-diamine is CC(C)NC(CN)C(C)C.
What is the InChIKey of 3-methyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SWSVIKNQCIPREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-6(2)8(5-9)10-7(3)4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 3-methyl-2-N-propan-2-ylbutane-1,2-diamine?
3-methyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 20813766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).