N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine

C16H31N3O — CID 118603482

IUPACN-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
SMILESCC(C)(C)CN(CCCn1ccnc1)COC(C)(C)C
InChIInChI=1S/C16H31N3O/c1-15(2,3)12-19(14-20-16(4,5)6)10-7-9-18-11-8-17-13-18/h8,11,13H,7,9-10,12,14H2,1-6H3
InChIKeyNPSKPJXFDFMRSJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.39
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine

N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine (PubChem CID 118603482) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
PubChem CID118603482
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine
SMILESCC(C)(C)CN(CCCn1ccnc1)COC(C)(C)C
InChIInChI=1S/C16H31N3O/c1-15(2,3)12-19(14-20-16(4,5)6)10-7-9-18-11-8-17-13-18/h8,11,13H,7,9-10,12,14H2,1-6H3
InChIKeyNPSKPJXFDFMRSJ-UHFFFAOYSA-N
XLogP3.39
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
N,N-bis[3-[diethoxy(ethyl)silyl]propyl]-3-imidazol-1-ylpropan-1-amine
CID 157021381
3-[3-imidazol-1-ylpropyl(propyl)amino]propanal
CID 166864860
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N,N-bis[3-bis(phosphanyl)phosphanylsilylpropyl]-3-imidazol-1-ylpropan-1-amine
CID 162260133
methyl 3-[3-imidazol-1-ylpropyl(2-methoxyethyl)amino]propanoate
CID 113330780
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine (CID 118603482) is N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine is CC(C)(C)CN(CCCn1ccnc1)COC(C)(C)C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
The InChIKey is NPSKPJXFDFMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2,3)12-19(14-20-16(4,5)6)10-7-9-18-11-8-17-13-18/h8,11,13H,7,9-10,12,14H2,1-6H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine?
N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-1-amine is sourced from PubChem (CID 118603482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).