1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one

C15H31N5O — CID 43253120

IUPAC1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
SMILESNCCCCCN1CCCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C15H31N5O/c16-5-2-1-3-7-18-8-4-9-19(12-11-18)13-14-20-10-6-17-15(20)21/h1-14,16H2,(H,17,21)
InChIKeyPDPYHNOWJKQOES-UHFFFAOYSA-N
MW297.45 g/mol
LogP0.15
Rot. Bonds8

About 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one (PubChem CID 43253120) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
PubChem CID43253120
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC Name1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
SMILESNCCCCCN1CCCN(CCN2CCNC2=O)CC1
InChIInChI=1S/C15H31N5O/c16-5-2-1-3-7-18-8-4-9-19(12-11-18)13-14-20-10-6-17-15(20)21/h1-14,16H2,(H,17,21)
InChIKeyPDPYHNOWJKQOES-UHFFFAOYSA-N
XLogP0.15
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.15
H-Bond Donors ≤ 52
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 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one (CID 43253120) is 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one is NCCCCCN1CCCN(CCN2CCNC2=O)CC1.
What is the InChIKey of 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is PDPYHNOWJKQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O/c16-5-2-1-3-7-18-8-4-9-19(12-11-18)13-14-20-10-6-17-15(20)21/h1-14,16H2,(H,17,21).
What are the key properties of 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 297.45 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43253120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).