3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine

C13H25N3 — CID 81021659

IUPAC3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1nccn1C
InChIInChI=1S/C13H25N3/c1-11(2)14-7-6-13(3,4)10-12-15-8-9-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyKVDDDOMHWGNGPA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds6

About 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine

3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81021659) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81021659
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1nccn1C
InChIInChI=1S/C13H25N3/c1-11(2)14-7-6-13(3,4)10-12-15-8-9-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyKVDDDOMHWGNGPA-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
CID 79762189
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63024504
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81019534
3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81023557
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine (CID 81021659) is 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)Cc1nccn1C.
What is the InChIKey of 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is KVDDDOMHWGNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)14-7-6-13(3,4)10-12-15-8-9-16(12)5/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine?
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81021659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).