N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide

C9H18N2O — CID 63887567

IUPACN-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H18N2O/c1-4-8(12)11-9(5-2,6-3)7-10/h4H,1,5-7,10H2,2-3H3,(H,11,12)
InChIKeyWGPBHEVFYJTNSR-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide

N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide (PubChem CID 63887567) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
PubChem CID63887567
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)(CC)CN
InChIInChI=1S/C9H18N2O/c1-4-8(12)11-9(5-2,6-3)7-10/h4H,1,5-7,10H2,2-3H3,(H,11,12)
InChIKeyWGPBHEVFYJTNSR-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
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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Related Compounds

3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
bis[2-ethyl-2-(prop-2-enoylamino)butoxy]-oxophosphanium
CID 174815200
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl](113C)prop-2-enamide
CID 10397303
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-[4-(aminomethyl)-3-methylhexan-3-yl]prop-2-enamide
CID 88844465
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
CID 86215980
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide (CID 63887567) is N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide is C=CC(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide?
The InChIKey is WGPBHEVFYJTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-8(12)11-9(5-2,6-3)7-10/h4H,1,5-7,10H2,2-3H3,(H,11,12).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide?
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide is sourced from PubChem (CID 63887567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).