6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine

C19H25N3O3 — CID 164674490

IUPAC6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine
SMILESCc1cccc(N[C@@H](C)CCCCOc2cccc(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C19H25N3O3/c1-14-8-6-11-17(19(14)22(23)24)25-13-5-4-9-15(2)20-18-12-7-10-16(3)21-18/h6-8,10-12,15H,4-5,9,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyZBJITMNERGNQRH-HNNXBMFYSA-N
MW343.43 g/mol
LogP4.66
Rot. Bonds9

About 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine

6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine (PubChem CID 164674490) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine
PubChem CID164674490
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine
SMILESCc1cccc(N[C@@H](C)CCCCOc2cccc(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C19H25N3O3/c1-14-8-6-11-17(19(14)22(23)24)25-13-5-4-9-15(2)20-18-12-7-10-16(3)21-18/h6-8,10-12,15H,4-5,9,13H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyZBJITMNERGNQRH-HNNXBMFYSA-N
XLogP4.66
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine (CID 164674490) is 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine is Cc1cccc(N[C@@H](C)CCCCOc2cccc(C)c2[N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine?
The InChIKey is ZBJITMNERGNQRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-8-6-11-17(19(14)22(23)24)25-13-5-4-9-15(2)20-18-12-7-10-16(3)21-18/h6-8,10-12,15H,4-5,9,13H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine?
6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-6-(3-methyl-2-nitrophenoxy)hexan-2-yl]pyridin-2-amine is sourced from PubChem (CID 164674490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).