N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine

C12H26N2 — CID 66453819

IUPACN,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCCC1C
InChIInChI=1S/C12H26N2/c1-10-7-6-8-14(10)9-12(3,4)11(2)13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyOQHHBBRHCTWPJE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine

N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine (PubChem CID 66453819) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
PubChem CID66453819
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCCC1C
InChIInChI=1S/C12H26N2/c1-10-7-6-8-14(10)9-12(3,4)11(2)13-5/h10-11,13H,6-9H2,1-5H3
InChIKeyOQHHBBRHCTWPJE-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine (CID 66453819) is N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine is CNC(C)C(C)(C)CN1CCCC1C.
What is the InChIKey of N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is OQHHBBRHCTWPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-7-6-8-14(10)9-12(3,4)11(2)13-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine?
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 66453819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).