4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide

C15H26N4O — CID 79401031

IUPAC4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
SMILESCC(C)(C)NCc1cncn1CCCC(=O)NC1CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)17-10-13-9-16-11-19(13)8-4-5-14(20)18-12-6-7-12/h9,11-12,17H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyONXKKNFTCMSVSD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.83
Rot. Bonds7

About 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide

4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide (PubChem CID 79401031) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
PubChem CID79401031
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
SMILESCC(C)(C)NCc1cncn1CCCC(=O)NC1CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)17-10-13-9-16-11-19(13)8-4-5-14(20)18-12-6-7-12/h9,11-12,17H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyONXKKNFTCMSVSD-UHFFFAOYSA-N
XLogP1.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
2-[5-(chloromethyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 66151866
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide?
The IUPAC name of 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide (CID 79401031) is 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide is CC(C)(C)NCc1cncn1CCCC(=O)NC1CC1.
What is the InChIKey of 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide?
The InChIKey is ONXKKNFTCMSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)17-10-13-9-16-11-19(13)8-4-5-14(20)18-12-6-7-12/h9,11-12,17H,4-8,10H2,1-3H3,(H,18,20).
What are the key properties of 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide?
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide is sourced from PubChem (CID 79401031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).