4-[3-(dicyclopropylmethylamino)propyl]aniline

C16H24N2 — CID 113290643

IUPAC4-[3-(dicyclopropylmethylamino)propyl]aniline
SMILESNc1ccc(CCCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c17-15-9-3-12(4-10-15)2-1-11-18-16(13-5-6-13)14-7-8-14/h3-4,9-10,13-14,16,18H,1-2,5-8,11,17H2
InChIKeyRLLOWHVCUFIWFT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.98
Rot. Bonds7

About 4-[3-(dicyclopropylmethylamino)propyl]aniline

4-[3-(dicyclopropylmethylamino)propyl]aniline (PubChem CID 113290643) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[3-(dicyclopropylmethylamino)propyl]aniline.

Molecular Properties

Compound Name4-[3-(dicyclopropylmethylamino)propyl]aniline
PubChem CID113290643
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-[3-(dicyclopropylmethylamino)propyl]aniline
SMILESNc1ccc(CCCNC(C2CC2)C2CC2)cc1
InChIInChI=1S/C16H24N2/c17-15-9-3-12(4-10-15)2-1-11-18-16(13-5-6-13)14-7-8-14/h3-4,9-10,13-14,16,18H,1-2,5-8,11,17H2
InChIKeyRLLOWHVCUFIWFT-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
4-butyl-N-(dicyclopropylmethyl)aniline
CID 43362849
4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
CID 114114017
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
CID 115341946
4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
4-[3-(1-azulen-1-ylethylamino)propyl]aniline
CID 68814043
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
4-[3-(2,2,3-trimethylbutylamino)propyl]aniline
CID 114100569
4-(3-chloropropyl)aniline
CID 11805171
4-[3-(4,4,4-trifluorobutylamino)propyl]aniline
CID 113327688

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dicyclopropylmethylamino)propyl]aniline?
The IUPAC name of 4-[3-(dicyclopropylmethylamino)propyl]aniline (CID 113290643) is 4-[3-(dicyclopropylmethylamino)propyl]aniline.
What is the SMILES notation for 4-[3-(dicyclopropylmethylamino)propyl]aniline?
The canonical SMILES for 4-[3-(dicyclopropylmethylamino)propyl]aniline is Nc1ccc(CCCNC(C2CC2)C2CC2)cc1.
What is the InChIKey of 4-[3-(dicyclopropylmethylamino)propyl]aniline?
The InChIKey is RLLOWHVCUFIWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-15-9-3-12(4-10-15)2-1-11-18-16(13-5-6-13)14-7-8-14/h3-4,9-10,13-14,16,18H,1-2,5-8,11,17H2.
What are the key properties of 4-[3-(dicyclopropylmethylamino)propyl]aniline?
4-[3-(dicyclopropylmethylamino)propyl]aniline has a molecular weight of 244.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dicyclopropylmethylamino)propyl]aniline is sourced from PubChem (CID 113290643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).