1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine

C18H39N3 — CID 163734387

IUPAC1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CN(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2.C8H17N/c1-10(2,3)12-7-6-9(8-12)11(4)5;1-8(2,3)9-6-4-5-7-9/h9H,6-8H2,1-5H3;4-7H2,1-3H3
InChIKeyLCIGAQAFTGYPSO-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.30
Rot. Bonds1

About 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine

1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine (PubChem CID 163734387) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
PubChem CID163734387
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CN(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2.C8H17N/c1-10(2,3)12-7-6-9(8-12)11(4)5;1-8(2,3)9-6-4-5-7-9/h9H,6-8H2,1-5H3;4-7H2,1-3H3
InChIKeyLCIGAQAFTGYPSO-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
CID 129088258
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
N,N-dimethyl-1-pyrrolidin-1-ylpyrrolidin-3-amine
CID 57226950
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine (CID 163734387) is 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CN(C)C1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine?
The InChIKey is LCIGAQAFTGYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C8H17N/c1-10(2,3)12-7-6-9(8-12)11(4)5;1-8(2,3)9-6-4-5-7-9/h9H,6-8H2,1-5H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine?
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine has a molecular weight of 297.53 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine is sourced from PubChem (CID 163734387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).