N-(2-nitropropyl)octan-1-amine

C11H24N2O2 — CID 14496460

IUPACN-(2-nitropropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)[N+](=O)[O-]
InChIInChI=1S/C11H24N2O2/c1-3-4-5-6-7-8-9-12-10-11(2)13(14)15/h11-12H,3-10H2,1-2H3
InChIKeyPFJPHCOVJGQRIA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.60
Rot. Bonds10

About N-(2-nitropropyl)octan-1-amine

N-(2-nitropropyl)octan-1-amine (PubChem CID 14496460) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-nitropropyl)octan-1-amine.

Molecular Properties

Compound NameN-(2-nitropropyl)octan-1-amine
PubChem CID14496460
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2-nitropropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)[N+](=O)[O-]
InChIInChI=1S/C11H24N2O2/c1-3-4-5-6-7-8-9-12-10-11(2)13(14)15/h11-12H,3-10H2,1-2H3
InChIKeyPFJPHCOVJGQRIA-UHFFFAOYSA-N
XLogP2.60
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.60
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-Methyl-2-nitropropyl)cyclohexanamine
CID 3056669
1,6-Hexanediamine, N1,N6-bis(2-methyl-2-nitropropyl)-
CID 86314
N~1~,N~12~-Bis(2-methyl-2-nitropropyl)dodecane-1,12-diamine
CID 21951127
N-(2,2-Dinitropropyl)cyclohexanamine
CID 534726
N-[(2S,3S)-1,1,1-trifluoro-3-nitrobutan-2-yl]pentan-1-amine
CID 71490844
N-(1,1,1-trifluoro-3-nitrobutan-2-yl)pentan-1-amine
CID 77991709
N,N'-bis(2-nitropropyl)hexane-1,6-diamine
CID 14496466
N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
CID 19093118
N'-cyclohexyl-N-(2-methyl-2-nitrobutyl)ethane-1,2-diamine
CID 19093119
N-methyl-N'-(2-methyl-2-nitroheptyl)ethane-1,2-diamine
CID 19093122
N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
CID 19093124
N-methyl-N'-(2-methyl-2-nitrohexyl)ethane-1,2-diamine
CID 19093126

Frequently Asked Questions

What is the IUPAC name of N-(2-nitropropyl)octan-1-amine?
The IUPAC name of N-(2-nitropropyl)octan-1-amine (CID 14496460) is N-(2-nitropropyl)octan-1-amine.
What is the SMILES notation for N-(2-nitropropyl)octan-1-amine?
The canonical SMILES for N-(2-nitropropyl)octan-1-amine is CCCCCCCCNCC(C)[N+](=O)[O-].
What is the InChIKey of N-(2-nitropropyl)octan-1-amine?
The InChIKey is PFJPHCOVJGQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-4-5-6-7-8-9-12-10-11(2)13(14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-nitropropyl)octan-1-amine?
N-(2-nitropropyl)octan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitropropyl)octan-1-amine is sourced from PubChem (CID 14496460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).