6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine

C22H41N5O3 — CID 23016516

IUPAC6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine
SMILESNCCCCCCO.O=[N+]([O-])c1cccnc1NCCCCCCN1CCCCC1
InChIInChI=1S/C16H26N4O2.C6H15NO/c21-20(22)15-9-8-11-18-16(15)17-10-4-1-2-5-12-19-13-6-3-7-14-19;7-5-3-1-2-4-6-8/h8-9,11H,1-7,10,12-14H2,(H,17,18);8H,1-7H2
InChIKeyOBMWANWHHSOAEW-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.95
Rot. Bonds14

About 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine

6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine (PubChem CID 23016516) has the molecular formula C22H41N5O3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine.

Molecular Properties

Compound Name6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine
PubChem CID23016516
Molecular FormulaC22H41N5O3
Molecular Weight423.60 g/mol
Exact Mass423.32
IUPAC Name6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine
SMILESNCCCCCCO.O=[N+]([O-])c1cccnc1NCCCCCCN1CCCCC1
InChIInChI=1S/C16H26N4O2.C6H15NO/c21-20(22)15-9-8-11-18-16(15)17-10-4-1-2-5-12-19-13-6-3-7-14-19;7-5-3-1-2-4-6-8/h8-9,11H,1-7,10,12-14H2,(H,17,18);8H,1-7H2
InChIKeyOBMWANWHHSOAEW-UHFFFAOYSA-N
XLogP3.95
TPSA117.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine?
The IUPAC name of 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine (CID 23016516) is 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine.
What is the SMILES notation for 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine?
The canonical SMILES for 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine is NCCCCCCO.O=[N+]([O-])c1cccnc1NCCCCCCN1CCCCC1.
What is the InChIKey of 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine?
The InChIKey is OBMWANWHHSOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.C6H15NO/c21-20(22)15-9-8-11-18-16(15)17-10-4-1-2-5-12-19-13-6-3-7-14-19;7-5-3-1-2-4-6-8/h8-9,11H,1-7,10,12-14H2,(H,17,18);8H,1-7H2.
What are the key properties of 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine?
6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine has a molecular weight of 423.60 g/mol, XLogP of 3.95, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol;3-nitro-N-(6-piperidin-1-ylhexyl)pyridin-2-amine is sourced from PubChem (CID 23016516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).