N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide

C13H26N2O — CID 88852896

IUPACN-[5-(aminomethyl)nonan-5-yl]prop-2-enamide
SMILESC=CC(=O)NC(CN)(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-13(11-14,10-8-5-2)15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16)
InChIKeyCXGBQLMKRUBGTF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds9

About N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide

N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide (PubChem CID 88852896) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)nonan-5-yl]prop-2-enamide
PubChem CID88852896
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[5-(aminomethyl)nonan-5-yl]prop-2-enamide
SMILESC=CC(=O)NC(CN)(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-13(11-14,10-8-5-2)15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16)
InChIKeyCXGBQLMKRUBGTF-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide?
The IUPAC name of N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide (CID 88852896) is N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide?
The canonical SMILES for N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide is C=CC(=O)NC(CN)(CCCC)CCCC.
What is the InChIKey of N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide?
The InChIKey is CXGBQLMKRUBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-9-13(11-14,10-8-5-2)15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16).
What are the key properties of N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide?
N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide is sourced from PubChem (CID 88852896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).