1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H28N4O — CID 106567768

IUPAC1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(C)CCN(C)C
InChIInChI=1S/C14H28N4O/c1-12-11-18(13(2)7-9-17(3)4)14(16-12)15-8-6-10-19-5/h11,13H,6-10H2,1-5H3,(H,15,16)
InChIKeySVBRIZNFNSPULR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.15
Rot. Bonds9

About 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106567768) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106567768
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(C)CCN(C)C
InChIInChI=1S/C14H28N4O/c1-12-11-18(13(2)7-9-17(3)4)14(16-12)15-8-6-10-19-5/h11,13H,6-10H2,1-5H3,(H,15,16)
InChIKeySVBRIZNFNSPULR-UHFFFAOYSA-N
XLogP2.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
CID 106567736
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097
1-[4-(dimethylamino)butan-2-yl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567753
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
N-(3-methoxypropyl)-4-methyl-1-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568545
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-4-methylimidazol-2-amine
CID 106567767
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106567768) is 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1C(C)CCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is SVBRIZNFNSPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12-11-18(13(2)7-9-17(3)4)14(16-12)15-8-6-10-19-5/h11,13H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106567768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).