N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine

C14H22N2O2 — CID 61078044

IUPACN,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine
SMILESCNC(CCC(C)C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O2/c1-11(2)8-9-13(15-3)10-12-6-4-5-7-14(12)16(17)18/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyUGQSVHSQRDTDGE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.16
Rot. Bonds7

About N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine

N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine (PubChem CID 61078044) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine
PubChem CID61078044
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine
SMILESCNC(CCC(C)C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O2/c1-11(2)8-9-13(15-3)10-12-6-4-5-7-14(12)16(17)18/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyUGQSVHSQRDTDGE-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61078393
4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61080065
N,2-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 63561349
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
N-methyl-1-(2-nitrophenyl)-3-propylhexan-2-amine
CID 82987313
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1,3-bis(2-methylpropyl)-2-[(2-nitrophenyl)methyl]benzene
CID 159565543
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-(2-methylheptyl)-2-nitrobenzene
CID 170184203
1-(2-fluoro-3-nitrophenyl)-N,5-dimethylhexan-3-amine
CID 107350066
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine?
The IUPAC name of N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine (CID 61078044) is N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine.
What is the SMILES notation for N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine?
The canonical SMILES for N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine is CNC(CCC(C)C)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine?
The InChIKey is UGQSVHSQRDTDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)8-9-13(15-3)10-12-6-4-5-7-14(12)16(17)18/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine?
N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2-nitrophenyl)hexan-2-amine is sourced from PubChem (CID 61078044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).