N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine

C14H31N3 — CID 81469905

IUPACN,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCNCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-12(2)6-7-15-8-9-17-10-13(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyCSQNNNZDIZRKPA-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.50
Rot. Bonds7

About N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine (PubChem CID 81469905) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine
PubChem CID81469905
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine
SMILESCC(C)CCNCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-12(2)6-7-15-8-9-17-10-13(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyCSQNNNZDIZRKPA-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.50
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-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 81469273
N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 81469093
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
CID 81469175
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62575365
N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 81463851
N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469540
1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81475056
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
N,N,4-trimethyl-1-[5-(propylamino)hexyl]pyrrolidin-3-amine
CID 81465461
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469991
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
1-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469272

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine (CID 81469905) is N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine is CC(C)CCNCCN1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is CSQNNNZDIZRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)6-7-15-8-9-17-10-13(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).