N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine

C19H29N3O — CID 122189563

IUPACN,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine
SMILESCN(C)C(CCCCc1ccccc1)CCOc1nccn1C
InChIInChI=1S/C19H29N3O/c1-21(2)18(13-16-23-19-20-14-15-22(19)3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13,16H2,1-3H3
InChIKeyXKDTURNZGVJVOY-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.53
Rot. Bonds10

About N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine

N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine (PubChem CID 122189563) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine
PubChem CID122189563
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine
SMILESCN(C)C(CCCCc1ccccc1)CCOc1nccn1C
InChIInChI=1S/C19H29N3O/c1-21(2)18(13-16-23-19-20-14-15-22(19)3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13,16H2,1-3H3
InChIKeyXKDTURNZGVJVOY-UHFFFAOYSA-N
XLogP3.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine?
The IUPAC name of N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine (CID 122189563) is N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine?
The canonical SMILES for N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine is CN(C)C(CCCCc1ccccc1)CCOc1nccn1C.
What is the InChIKey of N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine?
The InChIKey is XKDTURNZGVJVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-21(2)18(13-16-23-19-20-14-15-22(19)3)12-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13,16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine?
N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine has a molecular weight of 315.46 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylimidazol-2-yl)oxy-7-phenylheptan-3-amine is sourced from PubChem (CID 122189563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).