N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine

C20H32N4 — CID 71546964

IUPACN,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cc(CNCCN2CCCC2)c2ccccc21
InChIInChI=1S/C20H32N4/c1-22(2)11-7-14-24-17-18(19-8-3-4-9-20(19)24)16-21-10-15-23-12-5-6-13-23/h3-4,8-9,17,21H,5-7,10-16H2,1-2H3
InChIKeyZBZLNNICIZYUIQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.78
Rot. Bonds9

About N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine

N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine (PubChem CID 71546964) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
PubChem CID71546964
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cc(CNCCN2CCCC2)c2ccccc21
InChIInChI=1S/C20H32N4/c1-22(2)11-7-14-24-17-18(19-8-3-4-9-20(19)24)16-21-10-15-23-12-5-6-13-23/h3-4,8-9,17,21H,5-7,10-16H2,1-2H3
InChIKeyZBZLNNICIZYUIQ-UHFFFAOYSA-N
XLogP2.78
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine (CID 71546964) is N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine is CN(C)CCCn1cc(CNCCN2CCCC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine?
The InChIKey is ZBZLNNICIZYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-22(2)11-7-14-24-17-18(19-8-3-4-9-20(19)24)16-21-10-15-23-12-5-6-13-23/h3-4,8-9,17,21H,5-7,10-16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 71546964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).