5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide

C17H37N7O2 — CID 10642985

IUPAC5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide
SMILESNCCCNCCCCC(=O)NCC(=O)NCCCCCCN=C(N)N
InChIInChI=1S/C17H37N7O2/c18-9-7-11-21-10-6-3-8-15(25)24-14-16(26)22-12-4-1-2-5-13-23-17(19)20/h21H,1-14,18H2,(H,22,26)(H,24,25)(H4,19,20,23)
InChIKeyNLZRIBFEJLHHGA-UHFFFAOYSA-N
MW371.53 g/mol
LogP-0.84
Rot. Bonds17

About 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide

5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide (PubChem CID 10642985) has the molecular formula C17H37N7O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide
PubChem CID10642985
Molecular FormulaC17H37N7O2
Molecular Weight371.53 g/mol
Exact Mass371.30
IUPAC Name5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide
SMILESNCCCNCCCCC(=O)NCC(=O)NCCCCCCN=C(N)N
InChIInChI=1S/C17H37N7O2/c18-9-7-11-21-10-6-3-8-15(25)24-14-16(26)22-12-4-1-2-5-13-23-17(19)20/h21H,1-14,18H2,(H,22,26)(H,24,25)(H4,19,20,23)
InChIKeyNLZRIBFEJLHHGA-UHFFFAOYSA-N
XLogP-0.84
TPSA160.65 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 5-0.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide?
The IUPAC name of 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide (CID 10642985) is 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide.
What is the SMILES notation for 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide?
The canonical SMILES for 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide is NCCCNCCCCC(=O)NCC(=O)NCCCCCCN=C(N)N.
What is the InChIKey of 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide?
The InChIKey is NLZRIBFEJLHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N7O2/c18-9-7-11-21-10-6-3-8-15(25)24-14-16(26)22-12-4-1-2-5-13-23-17(19)20/h21H,1-14,18H2,(H,22,26)(H,24,25)(H4,19,20,23).
What are the key properties of 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide?
5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide has a molecular weight of 371.53 g/mol, XLogP of -0.84, 17 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-N-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 10642985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).