N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

C15H22N2O2 — CID 106797934

IUPACN-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-10-16-12(2)15(8-9-15)11-13-4-6-14(7-5-13)17(18)19/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyZFGNTVICPWGPJZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.31
Rot. Bonds7

About N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 106797934) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID106797934
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-10-16-12(2)15(8-9-15)11-13-4-6-14(7-5-13)17(18)19/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyZFGNTVICPWGPJZ-UHFFFAOYSA-N
XLogP3.31
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.31
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-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797970
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
CID 106797815
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
3-(4-nitrophenyl)-N-propylbutan-2-amine
CID 63200093
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103742159
(2S)-N-hydroxy-3-(4-nitrophenyl)-2-(propylamino)propanamide
CID 87750218
4-(4-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64704213
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 106797934) is N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is ZFGNTVICPWGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10-16-12(2)15(8-9-15)11-13-4-6-14(7-5-13)17(18)19/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106797934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).