1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine

C11H21N5 — CID 140611334

IUPAC1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine
SMILESCN1C=CN(CC(N)CN2C=CN(C)C2)C1
InChIInChI=1S/C11H21N5/c1-13-3-5-15(9-13)7-11(12)8-16-6-4-14(2)10-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHVUQBJYUXZJWLW-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.33
Rot. Bonds4

About 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine

1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine (PubChem CID 140611334) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine
PubChem CID140611334
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine
SMILESCN1C=CN(CC(N)CN2C=CN(C)C2)C1
InChIInChI=1S/C11H21N5/c1-13-3-5-15(9-13)7-11(12)8-16-6-4-14(2)10-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyHVUQBJYUXZJWLW-UHFFFAOYSA-N
XLogP-0.33
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine?
The IUPAC name of 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine (CID 140611334) is 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine?
The canonical SMILES for 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine is CN1C=CN(CC(N)CN2C=CN(C)C2)C1.
What is the InChIKey of 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine?
The InChIKey is HVUQBJYUXZJWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-13-3-5-15(9-13)7-11(12)8-16-6-4-14(2)10-16/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine?
1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine is sourced from PubChem (CID 140611334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).