N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine

C15H22N2O2 — CID 103902179

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
SMILESCCC(NCC1CC1(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-4-14(16-10-12-9-15(12,2)3)11-6-5-7-13(8-11)17(18)19/h5-8,12,14,16H,4,9-10H2,1-3H3
InChIKeyGXYGJKUMRNVODP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds6

About N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine

N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine (PubChem CID 103902179) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
PubChem CID103902179
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
SMILESCCC(NCC1CC1(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O2/c1-4-14(16-10-12-9-15(12,2)3)11-6-5-7-13(8-11)17(18)19/h5-8,12,14,16H,4,9-10H2,1-3H3
InChIKeyGXYGJKUMRNVODP-UHFFFAOYSA-N
XLogP3.68
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.68
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-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103716993
4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
2-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929433
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
CID 62635178
2-N,2-N,3-trimethyl-1-N-[1-(3-nitrophenyl)propyl]butane-1,2-diamine
CID 43246265
N'-methyl-N-[1-(3-nitrophenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635214
2,2-dimethyl-N-[1-(3-nitrophenyl)propyl]cyclohexan-1-amine
CID 79867091
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115902068
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
4-methyl-1-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 103779754

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine (CID 103902179) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine is CCC(NCC1CC1(C)C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine?
The InChIKey is GXYGJKUMRNVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-14(16-10-12-9-15(12,2)3)11-6-5-7-13(8-11)17(18)19/h5-8,12,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine is sourced from PubChem (CID 103902179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).