2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

C12H26N2 — CID 115651559

IUPAC2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNCCN1CCCC1
InChIInChI=1S/C12H26N2/c1-4-12(2,3)11-13-7-10-14-8-5-6-9-14/h13H,4-11H2,1-3H3
InChIKeyNHEPLTHVGXHDTD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (PubChem CID 115651559) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
PubChem CID115651559
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCCC(C)(C)CNCCN1CCCC1
InChIInChI=1S/C12H26N2/c1-4-12(2,3)11-13-7-10-14-8-5-6-9-14/h13H,4-11H2,1-3H3
InChIKeyNHEPLTHVGXHDTD-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911941
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103605340
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (CID 115651559) is 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is CCC(C)(C)CNCCN1CCCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The InChIKey is NHEPLTHVGXHDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(2,3)11-13-7-10-14-8-5-6-9-14/h13H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is sourced from PubChem (CID 115651559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).