N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide

C16H33IN2O — CID 173323474

IUPACN-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide
SMILESC=CC(=O)NC(CC)C(CCCCCC)C(C)(C)N.I
InChIInChI=1S/C16H32N2O.HI/c1-6-9-10-11-12-13(16(4,5)17)14(7-2)18-15(19)8-3;/h8,13-14H,3,6-7,9-12,17H2,1-2,4-5H3,(H,18,19);1H
InChIKeyUQOHXARADITJAS-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.01
Rot. Bonds10

About N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide

N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide (PubChem CID 173323474) has the molecular formula C16H33IN2O and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide.

Molecular Properties

Compound NameN-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide
PubChem CID173323474
Molecular FormulaC16H33IN2O
Molecular Weight396.36 g/mol
Exact Mass396.16
IUPAC NameN-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide
SMILESC=CC(=O)NC(CC)C(CCCCCC)C(C)(C)N.I
InChIInChI=1S/C16H32N2O.HI/c1-6-9-10-11-12-13(16(4,5)17)14(7-2)18-15(19)8-3;/h8,13-14H,3,6-7,9-12,17H2,1-2,4-5H3,(H,18,19);1H
InChIKeyUQOHXARADITJAS-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminopropan-2-yl)-4-ethylpentadec-1-en-3-one;hydrobromide
CID 175055341
N-tetradecan-3-ylprop-2-enamide
CID 54185556
N-tridecan-5-ylprop-2-enamide
CID 141277245
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
N-(3-aminoicosan-2-yl)prop-2-enamide;hydrobromide
CID 175049953
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
CID 175181589
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
CID 21279920
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide?
The IUPAC name of N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide (CID 173323474) is N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide.
What is the SMILES notation for N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide?
The canonical SMILES for N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide is C=CC(=O)NC(CC)C(CCCCCC)C(C)(C)N.I.
What is the InChIKey of N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide?
The InChIKey is UQOHXARADITJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.HI/c1-6-9-10-11-12-13(16(4,5)17)14(7-2)18-15(19)8-3;/h8,13-14H,3,6-7,9-12,17H2,1-2,4-5H3,(H,18,19);1H.
What are the key properties of N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide?
N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropan-2-yl)decan-3-yl]prop-2-enamide;hydroiodide is sourced from PubChem (CID 173323474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).