3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine

C15H29N3 — CID 79753036

IUPAC3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCNC(Cc1nccn1CCC)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-6-8-16-13(15(3,4)5)12-14-17-9-11-18(14)10-7-2/h9,11,13,16H,6-8,10,12H2,1-5H3
InChIKeyPNKRPSZQLYIWDE-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.25
Rot. Bonds7

About 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine

3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 79753036) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID79753036
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCNC(Cc1nccn1CCC)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-6-8-16-13(15(3,4)5)12-14-17-9-11-18(14)10-7-2/h9,11,13,16H,6-8,10,12H2,1-5H3
InChIKeyPNKRPSZQLYIWDE-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine (CID 79753036) is 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine is CCCNC(Cc1nccn1CCC)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is PNKRPSZQLYIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-8-16-13(15(3,4)5)12-14-17-9-11-18(14)10-7-2/h9,11,13,16H,6-8,10,12H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine?
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).