N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine

C12H26N2 — CID 116906639

IUPACN,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
SMILESCC(C)CC(CC1CCCN1)N(C)C
InChIInChI=1S/C12H26N2/c1-10(2)8-12(14(3)4)9-11-6-5-7-13-11/h10-13H,5-9H2,1-4H3
InChIKeyLIMOQBHLLBWTSY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds5

About N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine

N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine (PubChem CID 116906639) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
PubChem CID116906639
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
SMILESCC(C)CC(CC1CCCN1)N(C)C
InChIInChI=1S/C12H26N2/c1-10(2)8-12(14(3)4)9-11-6-5-7-13-11/h10-13H,5-9H2,1-4H3
InChIKeyLIMOQBHLLBWTSY-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
1-cyclobutyl-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906819
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
CID 119842297
1-N,1-N,4-trimethyl-2-N-(1-piperidin-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79538875
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine?
The IUPAC name of N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine (CID 116906639) is N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine.
What is the SMILES notation for N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine?
The canonical SMILES for N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine is CC(C)CC(CC1CCCN1)N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine?
The InChIKey is LIMOQBHLLBWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)8-12(14(3)4)9-11-6-5-7-13-11/h10-13H,5-9H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine?
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine is sourced from PubChem (CID 116906639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).