N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine

C16H25N3O2 — CID 83113145

IUPACN,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1c(CNCC2(N(C)C)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O2/c1-13-14(7-6-8-15(13)19(20)21)11-17-12-16(18(2)3)9-4-5-10-16/h6-8,17H,4-5,9-12H2,1-3H3
InChIKeyXGGFXJBTMAILFJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.87
Rot. Bonds6

About N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 83113145) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
PubChem CID83113145
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1c(CNCC2(N(C)C)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O2/c1-13-14(7-6-8-15(13)19(20)21)11-17-12-16(18(2)3)9-4-5-10-16/h6-8,17H,4-5,9-12H2,1-3H3
InChIKeyXGGFXJBTMAILFJ-UHFFFAOYSA-N
XLogP2.87
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 103113094
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
1,1-dimethyl-3-[2-[(2-methyl-3-nitrophenyl)methylamino]ethyl]urea
CID 83120900
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine (CID 83113145) is N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine is Cc1c(CNCC2(N(C)C)CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is XGGFXJBTMAILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-14(7-6-8-15(13)19(20)21)11-17-12-16(18(2)3)9-4-5-10-16/h6-8,17H,4-5,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 83113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).