N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide

C11H26N4O — CID 59687521

IUPACN-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCCCNCCCN
InChIInChI=1S/C11H26N4O/c1-11(16)15-10-9-14-7-3-2-6-13-8-4-5-12/h13-14H,2-10,12H2,1H3,(H,15,16)
InChIKeyPVWMQEBZLWXCSD-UHFFFAOYSA-N
MW230.36 g/mol
LogP-0.57
Rot. Bonds11

About N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide

N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide (PubChem CID 59687521) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
PubChem CID59687521
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC NameN-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCCCNCCCN
InChIInChI=1S/C11H26N4O/c1-11(16)15-10-9-14-7-3-2-6-13-8-4-5-12/h13-14H,2-10,12H2,1H3,(H,15,16)
InChIKeyPVWMQEBZLWXCSD-UHFFFAOYSA-N
XLogP-0.57
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
N-[2-[3-[dihydroxy(methyl)silyl]propylamino]ethyl]acetamide
CID 102052869
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide (CID 59687521) is N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide is CC(=O)NCCNCCCCNCCCN.
What is the InChIKey of N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide?
The InChIKey is PVWMQEBZLWXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-11(16)15-10-9-14-7-3-2-6-13-8-4-5-12/h13-14H,2-10,12H2,1H3,(H,15,16).
What are the key properties of N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide?
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide has a molecular weight of 230.36 g/mol, XLogP of -0.57, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide is sourced from PubChem (CID 59687521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).