2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine

C20H35N3 — CID 146238813

IUPAC2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine
SMILESCCCCCCC(CC)N1CCC(Nc2ccccc2N)CC1
InChIInChI=1S/C20H35N3/c1-3-5-6-7-10-18(4-2)23-15-13-17(14-16-23)22-20-12-9-8-11-19(20)21/h8-9,11-12,17-18,22H,3-7,10,13-16,21H2,1-2H3
InChIKeyJPOKDRBSHGSDCM-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.89
Rot. Bonds9

About 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine

2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 146238813) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID146238813
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine
SMILESCCCCCCC(CC)N1CCC(Nc2ccccc2N)CC1
InChIInChI=1S/C20H35N3/c1-3-5-6-7-10-18(4-2)23-15-13-17(14-16-23)22-20-12-9-8-11-19(20)21/h8-9,11-12,17-18,22H,3-7,10,13-16,21H2,1-2H3
InChIKeyJPOKDRBSHGSDCM-UHFFFAOYSA-N
XLogP4.89
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
2-N-[1-[(2S)-2-(dibenzylamino)propyl]piperidin-4-yl]benzene-1,2-diamine
CID 68771029
1-decan-3-ylpiperidine
CID 68984931
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
2-N-(1-heptan-3-ylpyrrolidin-3-yl)-1,3,4-thiadiazole-2,5-diamine;methanamine
CID 177337833
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 53302987
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
[(2S)-2-(dibenzylamino)propyl] 4-(2-aminoanilino)piperidine-1-carboxylate
CID 25192544
2-N-[2-[(2S,6S)-1-[(2S)-heptan-2-yl]-6-methylpiperidin-2-yl]ethyl]benzene-1,2-diamine
CID 89109626
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine (CID 146238813) is 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine is CCCCCCC(CC)N1CCC(Nc2ccccc2N)CC1.
What is the InChIKey of 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is JPOKDRBSHGSDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-3-5-6-7-10-18(4-2)23-15-13-17(14-16-23)22-20-12-9-8-11-19(20)21/h8-9,11-12,17-18,22H,3-7,10,13-16,21H2,1-2H3.
What are the key properties of 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine?
2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 317.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-nonan-3-ylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 146238813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).