3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline

C17H28N2 — CID 115342217

IUPAC3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
SMILESCC1(C)C(CNCCCc2cccc(N)c2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)12-19-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11,15,19H,6,8,10,12,18H2,1-4H3
InChIKeyJCVXILZEMFDBKK-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.47
Rot. Bonds6

About 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline

3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline (PubChem CID 115342217) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
PubChem CID115342217
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
SMILESCC1(C)C(CNCCCc2cccc(N)c2)C1(C)C
InChIInChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)12-19-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11,15,19H,6,8,10,12,18H2,1-4H3
InChIKeyJCVXILZEMFDBKK-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-[3-(2,2-dimethylbutylamino)propyl]aniline
CID 103462249
3-[3-(oxan-2-ylmethylamino)propyl]aniline
CID 115341975
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145
3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183
3-pentylaniline
CID 19911390
3-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79352632
3-docosylaniline
CID 139654071
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
CID 113290648
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-(3-fluoropropyl)aniline
CID 83855660
N-[3-(3-aminophenyl)propyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 115341991

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline?
The IUPAC name of 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline (CID 115342217) is 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline.
What is the SMILES notation for 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline?
The canonical SMILES for 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline is CC1(C)C(CNCCCc2cccc(N)c2)C1(C)C.
What is the InChIKey of 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline?
The InChIKey is JCVXILZEMFDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2)15(17(16,3)4)12-19-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11,15,19H,6,8,10,12,18H2,1-4H3.
What are the key properties of 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline?
3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline has a molecular weight of 260.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline is sourced from PubChem (CID 115342217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).