N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2 — CID 78909113

IUPACN-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)(C)NC1=NCCC1
InChIInChI=1S/C8H16N2/c1-8(2,3)10-7-5-4-6-9-7/h4-6H2,1-3H3,(H,9,10)
InChIKeyMPCNIKBILMEHEV-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds

About N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine

N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 78909113) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID78909113
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)(C)NC1=NCCC1
InChIInChI=1S/C8H16N2/c1-8(2,3)10-7-5-4-6-9-7/h4-6H2,1-3H3,(H,9,10)
InChIKeyMPCNIKBILMEHEV-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156216131
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CID 168742261
N-tert-butyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 168742268
N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide
CID 168742274
N,N'-dibutylpropanimidamide
CID 86103188
N,N'-ditert-butyl-3,3-dimethylbutanimidamide
CID 3485310
2-(t-Butylimino)-5,5-dimethyl-pyrrolidine
CID 102343038
N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide
CID 168742260
N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide
CID 168742358
N-tert-butyl-N'-(2,2-difluoroethyl)butanimidamide
CID 168742363
N-tert-butyl-N'-ethylethanimidamide
CID 12028910
N,N'-di-tert-butylethanimidamide
CID 12090686

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine (CID 78909113) is N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine is CC(C)(C)NC1=NCCC1.
What is the InChIKey of N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is MPCNIKBILMEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)10-7-5-4-6-9-7/h4-6H2,1-3H3,(H,9,10).
What are the key properties of N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine?
N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 140.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 78909113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).