4-butan-2-ylcyclohex-3-en-1-amine

C10H19N — CID 83261784

IUPAC4-butan-2-ylcyclohex-3-en-1-amine
SMILESCCC(C)C1=CCC(N)CC1
InChIInChI=1S/C10H19N/c1-3-8(2)9-4-6-10(11)7-5-9/h4,8,10H,3,5-7,11H2,1-2H3
InChIKeyDGPVRNWPGUTJHB-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds2

About 4-butan-2-ylcyclohex-3-en-1-amine

4-butan-2-ylcyclohex-3-en-1-amine (PubChem CID 83261784) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-butan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-butan-2-ylcyclohex-3-en-1-amine
PubChem CID83261784
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-butan-2-ylcyclohex-3-en-1-amine
SMILESCCC(C)C1=CCC(N)CC1
InChIInChI=1S/C10H19N/c1-3-8(2)9-4-6-10(11)7-5-9/h4,8,10H,3,5-7,11H2,1-2H3
InChIKeyDGPVRNWPGUTJHB-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 4-butan-2-ylcyclohex-3-en-1-amine (CID 83261784) is 4-butan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-butan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 4-butan-2-ylcyclohex-3-en-1-amine is CCC(C)C1=CCC(N)CC1.
What is the InChIKey of 4-butan-2-ylcyclohex-3-en-1-amine?
The InChIKey is DGPVRNWPGUTJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-8(2)9-4-6-10(11)7-5-9/h4,8,10H,3,5-7,11H2,1-2H3.
What are the key properties of 4-butan-2-ylcyclohex-3-en-1-amine?
4-butan-2-ylcyclohex-3-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 83261784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).