N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine

C14H26N4 — CID 104941646

IUPACN,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C14H26N4/c1-14(2,9-17(3)4)10-18-11-15-8-13(18)12-6-5-7-16-12/h8,11-12,16H,5-7,9-10H2,1-4H3/t12-/m0/s1
InChIKeyGKXQZMKYBOKDFD-LBPRGKRZSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds5

About N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine

N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine (PubChem CID 104941646) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
PubChem CID104941646
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C14H26N4/c1-14(2,9-17(3)4)10-18-11-15-8-13(18)12-6-5-7-16-12/h8,11-12,16H,5-7,9-10H2,1-4H3/t12-/m0/s1
InChIKeyGKXQZMKYBOKDFD-LBPRGKRZSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
CID 106291736
1-(2-ethyl-2-methylsulfanylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 114117598
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
CID 114128208
N,2,2-trimethyl-3-(5-piperidin-2-ylimidazol-1-yl)propanamide
CID 106278204
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051
1-(2-methyl-3-methylsulfanylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943113
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine (CID 104941646) is N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine is CN(C)CC(C)(C)Cn1cncc1[C@@H]1CCCN1.
What is the InChIKey of N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is GKXQZMKYBOKDFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,9-17(3)4)10-18-11-15-8-13(18)12-6-5-7-16-12/h8,11-12,16H,5-7,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine?
N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 104941646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).