N-[(2-nitrophenyl)methyl]nonan-1-amine

C16H26N2O2 — CID 60669264

IUPACN-[(2-nitrophenyl)methyl]nonan-1-amine
SMILESCCCCCCCCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-10-13-17-14-15-11-8-9-12-16(15)18(19)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3
InChIKeyRFTQJLVQFLXELH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.43
Rot. Bonds11

About N-[(2-nitrophenyl)methyl]nonan-1-amine

N-[(2-nitrophenyl)methyl]nonan-1-amine (PubChem CID 60669264) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]nonan-1-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]nonan-1-amine
PubChem CID60669264
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2-nitrophenyl)methyl]nonan-1-amine
SMILESCCCCCCCCCNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-10-13-17-14-15-11-8-9-12-16(15)18(19)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3
InChIKeyRFTQJLVQFLXELH-UHFFFAOYSA-N
XLogP4.43
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
CID 60887414
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[(2,4-dinitrophenyl)methyl]hexan-1-amine
CID 66221782
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
2-[(2-nitrophenyl)methylamino]-N-pentylpropanamide
CID 61068301
2-ethylsulfinyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 115632377
N'-ethyl-N'-methyl-N-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62635543
3-(2-methylpropoxy)-N-[(2-nitrophenyl)methyl]propan-1-amine
CID 28681887
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]nonan-1-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]nonan-1-amine (CID 60669264) is N-[(2-nitrophenyl)methyl]nonan-1-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]nonan-1-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]nonan-1-amine is CCCCCCCCCNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-nitrophenyl)methyl]nonan-1-amine?
The InChIKey is RFTQJLVQFLXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-4-5-6-7-10-13-17-14-15-11-8-9-12-16(15)18(19)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3.
What are the key properties of N-[(2-nitrophenyl)methyl]nonan-1-amine?
N-[(2-nitrophenyl)methyl]nonan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]nonan-1-amine is sourced from PubChem (CID 60669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).