2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine

C16H35N3 — CID 62512117

IUPAC2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C(CN(C)C)N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H35N3/c1-13(2)15(12-18(6)7)19-9-8-14(11-19)10-17-16(3,4)5/h13-15,17H,8-12H2,1-7H3
InChIKeyQVZANABGXQZSHH-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds6

About 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine

2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine (PubChem CID 62512117) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
PubChem CID62512117
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C(CN(C)C)N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H35N3/c1-13(2)15(12-18(6)7)19-9-8-14(11-19)10-17-16(3,4)5/h13-15,17H,8-12H2,1-7H3
InChIKeyQVZANABGXQZSHH-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 64867752
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
CID 62412730
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]propanenitrile
CID 63848785
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 63166974
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511650

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine (CID 62512117) is 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine is CC(C)C(CN(C)C)N1CCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is QVZANABGXQZSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)15(12-18(6)7)19-9-8-14(11-19)10-17-16(3,4)5/h13-15,17H,8-12H2,1-7H3.
What are the key properties of 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine?
2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 62512117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).