5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine

C16H23N3 — CID 115145902

IUPAC5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CNC2CNC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-16(2)8-13(10-18-16)17-9-12-11-19(3)15-7-5-4-6-14(12)15/h4-7,11,13,17-18H,8-10H2,1-3H3
InChIKeyOSMNXLRDOMJBBR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.41
Rot. Bonds3

About 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine

5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 115145902) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID115145902
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CNC2CNC(C)(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-16(2)8-13(10-18-16)17-9-12-11-19(3)15-7-5-4-6-14(12)15/h4-7,11,13,17-18H,8-10H2,1-3H3
InChIKeyOSMNXLRDOMJBBR-UHFFFAOYSA-N
XLogP2.41
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
N-[(1-methylcyclopentyl)methyl]-1-(1-methylindol-3-yl)methanamine
CID 107235706
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923
N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
CID 115145493
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine (CID 115145902) is 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine is Cn1cc(CNC2CNC(C)(C)C2)c2ccccc21.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is OSMNXLRDOMJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2)8-13(10-18-16)17-9-12-11-19(3)15-7-5-4-6-14(12)15/h4-7,11,13,17-18H,8-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 257.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).