N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine

C15H24N2O2 — CID 63063846

IUPACN-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
SMILESCCNC(CCCc1ccccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H24N2O2/c1-4-16-14(12(2)3)10-7-9-13-8-5-6-11-15(13)17(18)19/h5-6,8,11-12,14,16H,4,7,9-10H2,1-3H3
InChIKeyRRAJTDGBSLEUAO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds8

About N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine

N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine (PubChem CID 63063846) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
PubChem CID63063846
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
SMILESCCNC(CCCc1ccccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H24N2O2/c1-4-16-14(12(2)3)10-7-9-13-8-5-6-11-15(13)17(18)19/h5-6,8,11-12,14,16H,4,7,9-10H2,1-3H3
InChIKeyRRAJTDGBSLEUAO-UHFFFAOYSA-N
XLogP3.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.55
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

N-ethyl-3-methyl-1-(2-nitrophenyl)hexan-2-amine
CID 61064607
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
CID 55219961
1-(4-bromoheptyl)-2-nitrobenzene
CID 55219833
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
1-(4-chloro-3-methylpentyl)-2-nitrobenzene
CID 63062823
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine?
The IUPAC name of N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine (CID 63063846) is N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine is CCNC(CCCc1ccccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine?
The InChIKey is RRAJTDGBSLEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-14(12(2)3)10-7-9-13-8-5-6-11-15(13)17(18)19/h5-6,8,11-12,14,16H,4,7,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine?
N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine has a molecular weight of 264.37 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine is sourced from PubChem (CID 63063846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).