N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide

C21H43N3O — CID 142081021

IUPACN-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide
SMILESC=C(NCCCCCN)C(C(C)C)N(C)C(=O)CCCCCCCC
InChIInChI=1S/C21H43N3O/c1-6-7-8-9-10-12-15-20(25)24(5)21(18(2)3)19(4)23-17-14-11-13-16-22/h18,21,23H,4,6-17,22H2,1-3,5H3
InChIKeyXBXCFOHRNYMEGB-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.45
Rot. Bonds16

About N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide

N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide (PubChem CID 142081021) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide.

Molecular Properties

Compound NameN-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide
PubChem CID142081021
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC NameN-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide
SMILESC=C(NCCCCCN)C(C(C)C)N(C)C(=O)CCCCCCCC
InChIInChI=1S/C21H43N3O/c1-6-7-8-9-10-12-15-20(25)24(5)21(18(2)3)19(4)23-17-14-11-13-16-22/h18,21,23H,4,6-17,22H2,1-3,5H3
InChIKeyXBXCFOHRNYMEGB-UHFFFAOYSA-N
XLogP4.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide?
The IUPAC name of N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide (CID 142081021) is N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide.
What is the SMILES notation for N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide?
The canonical SMILES for N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide is C=C(NCCCCCN)C(C(C)C)N(C)C(=O)CCCCCCCC.
What is the InChIKey of N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide?
The InChIKey is XBXCFOHRNYMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-6-7-8-9-10-12-15-20(25)24(5)21(18(2)3)19(4)23-17-14-11-13-16-22/h18,21,23H,4,6-17,22H2,1-3,5H3.
What are the key properties of N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide?
N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide has a molecular weight of 353.60 g/mol, XLogP of 4.45, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminopentylamino)-4-methylpent-1-en-3-yl]-N-methylnonanamide is sourced from PubChem (CID 142081021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).