butan-1-amine;2-methylpropan-1-amine

C8H22N2 — CID 19368187

IUPACbutan-1-amine;2-methylpropan-1-amine
SMILESCC(C)CN.CCCCN
InChIInChI=1S/2C4H11N/c1-4(2)3-5;1-2-3-4-5/h4H,3,5H2,1-2H3;2-5H2,1H3
InChIKeyBFNZFARNRBWYPV-UHFFFAOYSA-N
MW146.28 g/mol
LogP1.35
Rot. Bonds3

About butan-1-amine;2-methylpropan-1-amine

butan-1-amine;2-methylpropan-1-amine (PubChem CID 19368187) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is butan-1-amine;2-methylpropan-1-amine.

Molecular Properties

Compound Namebutan-1-amine;2-methylpropan-1-amine
PubChem CID19368187
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Namebutan-1-amine;2-methylpropan-1-amine
SMILESCC(C)CN.CCCCN
InChIInChI=1S/2C4H11N/c1-4(2)3-5;1-2-3-4-5/h4H,3,5H2,1-2H3;2-5H2,1H3
InChIKeyBFNZFARNRBWYPV-UHFFFAOYSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;2-methylpropan-1-amine?
The IUPAC name of butan-1-amine;2-methylpropan-1-amine (CID 19368187) is butan-1-amine;2-methylpropan-1-amine.
What is the SMILES notation for butan-1-amine;2-methylpropan-1-amine?
The canonical SMILES for butan-1-amine;2-methylpropan-1-amine is CC(C)CN.CCCCN.
What is the InChIKey of butan-1-amine;2-methylpropan-1-amine?
The InChIKey is BFNZFARNRBWYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N/c1-4(2)3-5;1-2-3-4-5/h4H,3,5H2,1-2H3;2-5H2,1H3.
What are the key properties of butan-1-amine;2-methylpropan-1-amine?
butan-1-amine;2-methylpropan-1-amine has a molecular weight of 146.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;2-methylpropan-1-amine is sourced from PubChem (CID 19368187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).