5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide

C25H43N7O — CID 67162959

IUPAC5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide
SMILESCCCN(CCC)C1CCC(NCCCCC(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1
InChIInChI=1S/C25H43N7O/c1-3-17-31(18-4-2)22-10-8-21(9-11-22)26-12-6-5-7-25(33)32(19-23-27-13-14-28-23)20-24-29-15-16-30-24/h13-16,21-22,26H,3-12,17-20H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyUMALMFKSPBKGHM-UHFFFAOYSA-N
MW457.67 g/mol
LogP3.85
Rot. Bonds15

About 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide

5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide (PubChem CID 67162959) has the molecular formula C25H43N7O and a molecular weight of 457.67 g/mol. Its IUPAC name is 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide
PubChem CID67162959
Molecular FormulaC25H43N7O
Molecular Weight457.67 g/mol
Exact Mass457.35
IUPAC Name5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide
SMILESCCCN(CCC)C1CCC(NCCCCC(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1
InChIInChI=1S/C25H43N7O/c1-3-17-31(18-4-2)22-10-8-21(9-11-22)26-12-6-5-7-25(33)32(19-23-27-13-14-28-23)20-24-29-15-16-30-24/h13-16,21-22,26H,3-12,17-20H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyUMALMFKSPBKGHM-UHFFFAOYSA-N
XLogP3.85
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.67
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide?
The IUPAC name of 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide (CID 67162959) is 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide?
The canonical SMILES for 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide is CCCN(CCC)C1CCC(NCCCCC(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1.
What is the InChIKey of 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide?
The InChIKey is UMALMFKSPBKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N7O/c1-3-17-31(18-4-2)22-10-8-21(9-11-22)26-12-6-5-7-25(33)32(19-23-27-13-14-28-23)20-24-29-15-16-30-24/h13-16,21-22,26H,3-12,17-20H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide?
5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide has a molecular weight of 457.67 g/mol, XLogP of 3.85, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dipropylamino)cyclohexyl]amino]-N,N-bis(1H-imidazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 67162959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).