4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline

C16H26N2 — CID 114114017

IUPAC4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
SMILESCC(C)C1(CNCCCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)16(9-10-16)12-18-11-3-4-14-5-7-15(17)8-6-14/h5-8,13,18H,3-4,9-12,17H2,1-2H3
InChIKeySLSKAGHFFHHSLA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.23
Rot. Bonds7

About 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline

4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline (PubChem CID 114114017) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
PubChem CID114114017
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
SMILESCC(C)C1(CNCCCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)16(9-10-16)12-18-11-3-4-14-5-7-15(17)8-6-14/h5-8,13,18H,3-4,9-12,17H2,1-2H3
InChIKeySLSKAGHFFHHSLA-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.23
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-(7-methyloctylamino)propyl]aniline
CID 107815674
4-[3-(2,2,3-trimethylbutylamino)propyl]aniline
CID 114100569
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
4-[3-(4,4,4-trifluorobutylamino)propyl]aniline
CID 113327688
1-[4-(difluoromethyl)phenyl]-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 114078586
4-[3-(dicyclopropylmethylamino)propyl]aniline
CID 113290643
1-(6-methyl-3-pyridinyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 104756480
4-[3-[(5-methylthiophen-2-yl)methylamino]propyl]aniline
CID 113290666
4-[1-[4-[14-[4-[1-(4-aminophenyl)ethyl]phenyl]tetradecyl]phenyl]ethyl]aniline
CID 22920015
4-[1-[4-[18-[4-[1-(4-aminophenyl)ethyl]phenyl]octadecyl]phenyl]ethyl]aniline
CID 22919409

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline?
The IUPAC name of 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline (CID 114114017) is 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline.
What is the SMILES notation for 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline?
The canonical SMILES for 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline is CC(C)C1(CNCCCc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline?
The InChIKey is SLSKAGHFFHHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16(9-10-16)12-18-11-3-4-14-5-7-15(17)8-6-14/h5-8,13,18H,3-4,9-12,17H2,1-2H3.
What are the key properties of 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline?
4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline is sourced from PubChem (CID 114114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).