1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane

C15H28N4 — CID 138000965

IUPAC1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C15H28N4/c1-4-6-17-7-5-8-18(10-9-17)12-15-11-16-13-19(15)14(2)3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyIPKFSMLGIIQEBI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.38
Rot. Bonds5

About 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane

1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane (PubChem CID 138000965) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane
PubChem CID138000965
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane
SMILESCCCN1CCCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C15H28N4/c1-4-6-17-7-5-8-18(10-9-17)12-15-11-16-13-19(15)14(2)3/h11,13-14H,4-10,12H2,1-3H3
InChIKeyIPKFSMLGIIQEBI-UHFFFAOYSA-N
XLogP2.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane?
The IUPAC name of 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane (CID 138000965) is 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane.
What is the SMILES notation for 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane?
The canonical SMILES for 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane is CCCN1CCCN(Cc2cncn2C(C)C)CC1.
What is the InChIKey of 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane?
The InChIKey is IPKFSMLGIIQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-6-17-7-5-8-18(10-9-17)12-15-11-16-13-19(15)14(2)3/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane?
1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane has a molecular weight of 264.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-ylimidazol-4-yl)methyl]-4-propyl-1,4-diazepane is sourced from PubChem (CID 138000965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).