(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine

C13H23N3O — CID 114125645

IUPAC(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-11(14)12-8-15-10-16(12)9-13(2)4-6-17-7-5-13/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyOHUGZIVZTFZFNB-LLVKDONJSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds4

About (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 114125645) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID114125645
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-11(14)12-8-15-10-16(12)9-13(2)4-6-17-7-5-13/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyOHUGZIVZTFZFNB-LLVKDONJSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine (CID 114125645) is (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CC1(C)CCOCC1.
What is the InChIKey of (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is OHUGZIVZTFZFNB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11(14)12-8-15-10-16(12)9-13(2)4-6-17-7-5-13/h8,10-11H,3-7,9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 114125645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).