1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine

C17H37N3 — CID 63166974

IUPAC1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CNC(C)(C)C)C(C)C)C1
InChIInChI=1S/C17H37N3/c1-8-19(9-2)15-10-11-20(13-15)16(14(3)4)12-18-17(5,6)7/h14-16,18H,8-13H2,1-7H3
InChIKeyZVDCOUBKFWYZFM-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds7

About 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine

1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63166974) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63166974
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CNC(C)(C)C)C(C)C)C1
InChIInChI=1S/C17H37N3/c1-8-19(9-2)15-10-11-20(13-15)16(14(3)4)12-18-17(5,6)7/h14-16,18H,8-13H2,1-7H3
InChIKeyZVDCOUBKFWYZFM-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 103226503
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
CID 62412730
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 63492411
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 115562182
3-amino-2-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpentan-1-ol
CID 114357224
N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055142
2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
CID 62512117
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62439520
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950

Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine (CID 63166974) is 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C(CNC(C)(C)C)C(C)C)C1.
What is the InChIKey of 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is ZVDCOUBKFWYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-19(9-2)15-10-11-20(13-15)16(14(3)4)12-18-17(5,6)7/h14-16,18H,8-13H2,1-7H3.
What are the key properties of 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine?
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63166974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).