N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine

C16H22N2 — CID 96674667

IUPACN-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCc1ccc(C)c2c(CCCNC3CC3)c[nH]c12
InChIInChI=1S/C16H22N2/c1-11-5-6-12(2)16-15(11)13(10-18-16)4-3-9-17-14-7-8-14/h5-6,10,14,17-18H,3-4,7-9H2,1-2H3
InChIKeySPEMURBTUTWZCV-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine

N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine (PubChem CID 96674667) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine
PubChem CID96674667
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCc1ccc(C)c2c(CCCNC3CC3)c[nH]c12
InChIInChI=1S/C16H22N2/c1-11-5-6-12(2)16-15(11)13(10-18-16)4-3-9-17-14-7-8-14/h5-6,10,14,17-18H,3-4,7-9H2,1-2H3
InChIKeySPEMURBTUTWZCV-UHFFFAOYSA-N
XLogP3.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70545083
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 84622010
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
CID 22751
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60761293
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
CID 65305738
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine (CID 96674667) is N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine is Cc1ccc(C)c2c(CCCNC3CC3)c[nH]c12.
What is the InChIKey of N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine?
The InChIKey is SPEMURBTUTWZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-5-6-12(2)16-15(11)13(10-18-16)4-3-9-17-14-7-8-14/h5-6,10,14,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine?
N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine has a molecular weight of 242.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 96674667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).