3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine

C14H21N5 — CID 114719339

IUPAC3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCC(CCN(C)C)n1cncc1-c1cccnc1N
InChIInChI=1S/C14H21N5/c1-11(6-8-18(2)3)19-10-16-9-13(19)12-5-4-7-17-14(12)15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,15,17)
InChIKeyBTQIYHVRRBVVSI-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.04
Rot. Bonds5

About 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine

3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114719339) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
PubChem CID114719339
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
SMILESCC(CCN(C)C)n1cncc1-c1cccnc1N
InChIInChI=1S/C14H21N5/c1-11(6-8-18(2)3)19-10-16-9-13(19)12-5-4-7-17-14(12)15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,15,17)
InChIKeyBTQIYHVRRBVVSI-UHFFFAOYSA-N
XLogP2.04
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721812
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine (CID 114719339) is 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine is CC(CCN(C)C)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is BTQIYHVRRBVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(6-8-18(2)3)19-10-16-9-13(19)12-5-4-7-17-14(12)15/h4-5,7,9-11H,6,8H2,1-3H3,(H2,15,17).
What are the key properties of 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine?
3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).