1-butan-2-yl-2-ethylcyclopropan-1-amine

C9H19N — CID 79332461

IUPAC1-butan-2-yl-2-ethylcyclopropan-1-amine
SMILESCCC(C)C1(N)CC1CC
InChIInChI=1S/C9H19N/c1-4-7(3)9(10)6-8(9)5-2/h7-8H,4-6,10H2,1-3H3
InChIKeyPJLDMTXSGZSOJK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds3

About 1-butan-2-yl-2-ethylcyclopropan-1-amine

1-butan-2-yl-2-ethylcyclopropan-1-amine (PubChem CID 79332461) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-butan-2-yl-2-ethylcyclopropan-1-amine
PubChem CID79332461
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-butan-2-yl-2-ethylcyclopropan-1-amine
SMILESCCC(C)C1(N)CC1CC
InChIInChI=1S/C9H19N/c1-4-7(3)9(10)6-8(9)5-2/h7-8H,4-6,10H2,1-3H3
InChIKeyPJLDMTXSGZSOJK-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-butan-2-yl-2-ethylcyclopropan-1-amine (CID 79332461) is 1-butan-2-yl-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-butan-2-yl-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-butan-2-yl-2-ethylcyclopropan-1-amine is CCC(C)C1(N)CC1CC.
What is the InChIKey of 1-butan-2-yl-2-ethylcyclopropan-1-amine?
The InChIKey is PJLDMTXSGZSOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-7(3)9(10)6-8(9)5-2/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-ethylcyclopropan-1-amine?
1-butan-2-yl-2-ethylcyclopropan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 79332461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).