N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine

C16H27N3 — CID 63165160

IUPACN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
SMILESCCCNCc1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C16H27N3/c1-4-10-17-12-14-7-5-6-8-16(14)19-11-9-15(13-19)18(2)3/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyKSIMMUSHGNNZOW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds6

About N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine (PubChem CID 63165160) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
PubChem CID63165160
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
SMILESCCCNCc1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C16H27N3/c1-4-10-17-12-14-7-5-6-8-16(14)19-11-9-15(13-19)18(2)3/h5-8,15,17H,4,9-13H2,1-3H3
InChIKeyKSIMMUSHGNNZOW-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389828
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
CID 81254307
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine (CID 63165160) is N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine is CCCNCc1ccccc1N1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is KSIMMUSHGNNZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-10-17-12-14-7-5-6-8-16(14)19-11-9-15(13-19)18(2)3/h5-8,15,17H,4,9-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 63165160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).