(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine

C13H23N3O — CID 114098190

IUPAC(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCOCC1CC1
InChIInChI=1S/C13H23N3O/c1-2-12(14)13-8-15-10-16(13)6-3-7-17-9-11-4-5-11/h8,10-12H,2-7,9,14H2,1H3/t12-/m1/s1
InChIKeyZXLJUJAZZCMESN-GFCCVEGCSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds8

About (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine (PubChem CID 114098190) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine
PubChem CID114098190
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCOCC1CC1
InChIInChI=1S/C13H23N3O/c1-2-12(14)13-8-15-10-16(13)6-3-7-17-9-11-4-5-11/h8,10-12H,2-7,9,14H2,1H3/t12-/m1/s1
InChIKeyZXLJUJAZZCMESN-GFCCVEGCSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

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 (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine (CID 114098190) is (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CCCOCC1CC1.
What is the InChIKey of (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine?
The InChIKey is ZXLJUJAZZCMESN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-12(14)13-8-15-10-16(13)6-3-7-17-9-11-4-5-11/h8,10-12H,2-7,9,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 114098190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).