N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine

C13H26N4 — CID 66149674

IUPACN,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine
SMILESCC(C)NCc1cncn1C(C)CCN(C)C
InChIInChI=1S/C13H26N4/c1-11(2)15-9-13-8-14-10-17(13)12(3)6-7-16(4)5/h8,10-12,15H,6-7,9H2,1-5H3
InChIKeyXZIICKCUBYYIHA-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.89
Rot. Bonds7

About N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine

N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine (PubChem CID 66149674) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine
PubChem CID66149674
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine
SMILESCC(C)NCc1cncn1C(C)CCN(C)C
InChIInChI=1S/C13H26N4/c1-11(2)15-9-13-8-14-10-17(13)12(3)6-7-16(4)5/h8,10-12,15H,6-7,9H2,1-5H3
InChIKeyXZIICKCUBYYIHA-UHFFFAOYSA-N
XLogP1.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
N-[[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 114129927
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
CID 66151132
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150084
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine (CID 66149674) is N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine is CC(C)NCc1cncn1C(C)CCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine?
The InChIKey is XZIICKCUBYYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)15-9-13-8-14-10-17(13)12(3)6-7-16(4)5/h8,10-12,15H,6-7,9H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine?
N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine is sourced from PubChem (CID 66149674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).