N-pentyl-2H-pyridin-1-amine

C10H18N2 — CID 68885734

IUPACN-pentyl-2H-pyridin-1-amine
SMILESCCCCCNN1C=CC=CC1
InChIInChI=1S/C10H18N2/c1-2-3-5-8-11-12-9-6-4-7-10-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyGAZCTMNOZLVRCV-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds5

About N-pentyl-2H-pyridin-1-amine

N-pentyl-2H-pyridin-1-amine (PubChem CID 68885734) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-pentyl-2H-pyridin-1-amine.

Molecular Properties

Compound NameN-pentyl-2H-pyridin-1-amine
PubChem CID68885734
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-pentyl-2H-pyridin-1-amine
SMILESCCCCCNN1C=CC=CC1
InChIInChI=1S/C10H18N2/c1-2-3-5-8-11-12-9-6-4-7-10-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3
InChIKeyGAZCTMNOZLVRCV-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2H-pyridin-1-amine?
The IUPAC name of N-pentyl-2H-pyridin-1-amine (CID 68885734) is N-pentyl-2H-pyridin-1-amine.
What is the SMILES notation for N-pentyl-2H-pyridin-1-amine?
The canonical SMILES for N-pentyl-2H-pyridin-1-amine is CCCCCNN1C=CC=CC1.
What is the InChIKey of N-pentyl-2H-pyridin-1-amine?
The InChIKey is GAZCTMNOZLVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-5-8-11-12-9-6-4-7-10-12/h4,6-7,9,11H,2-3,5,8,10H2,1H3.
What are the key properties of N-pentyl-2H-pyridin-1-amine?
N-pentyl-2H-pyridin-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2H-pyridin-1-amine is sourced from PubChem (CID 68885734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).