N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine

C15H20N2O2 — CID 103841179

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-11(13-4-2-3-5-14(13)17(18)19)16-10-15(8-9-15)12-6-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyMBURNQJDJGJBNB-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.44
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine (PubChem CID 103841179) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine
PubChem CID103841179
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O2/c1-11(13-4-2-3-5-14(13)17(18)19)16-10-15(8-9-15)12-6-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyMBURNQJDJGJBNB-UHFFFAOYSA-N
XLogP3.44
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.44
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-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
1,1-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103788038
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
1-ethyl-N-[1-(2-nitrophenyl)ethyl]piperidin-4-amine
CID 61039638
N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 43566906

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine (CID 103841179) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine is CC(NCC1(C2CC2)CC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine?
The InChIKey is MBURNQJDJGJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(13-4-2-3-5-14(13)17(18)19)16-10-15(8-9-15)12-6-7-12/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 103841179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).