4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine

C8H16N2 — CID 89419044

IUPAC4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine
SMILESCC(C)C1=CCN(N)CC1
InChIInChI=1S/C8H16N2/c1-7(2)8-3-5-10(9)6-4-8/h3,7H,4-6,9H2,1-2H3
InChIKeyGYNFFHYMAGEGPN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.15
Rot. Bonds1

About 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine

4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 89419044) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine
PubChem CID89419044
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine
SMILESCC(C)C1=CCN(N)CC1
InChIInChI=1S/C8H16N2/c1-7(2)8-3-5-10(9)6-4-8/h3,7H,4-6,9H2,1-2H3
InChIKeyGYNFFHYMAGEGPN-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine (CID 89419044) is 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine is CC(C)C1=CCN(N)CC1.
What is the InChIKey of 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is GYNFFHYMAGEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8-3-5-10(9)6-4-8/h3,7H,4-6,9H2,1-2H3.
What are the key properties of 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine?
4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 89419044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).