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

C10H20N2O — CID 87432428

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)(CC)CN
InChIInChI=1S/C10H20N2O/c1-5-10(6-2,7-11)12-9(13)8(3)4/h3,5-7,11H2,1-2,4H3,(H,12,13)
InChIKeyPKYAZNIYXKHPBD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide (PubChem CID 87432428) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
PubChem CID87432428
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CC)(CC)CN
InChIInChI=1S/C10H20N2O/c1-5-10(6-2,7-11)12-9(13)8(3)4/h3,5-7,11H2,1-2,4H3,(H,12,13)
InChIKeyPKYAZNIYXKHPBD-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
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

N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
CID 88853060
[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 154599042
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
CID 173326551
3-(aminomethyl)pentan-3-ylurea
CID 63766558
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
N-[3-(aminomethyl)pentan-3-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 119569293
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 87578261
N-[4-amino-1-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide
CID 174696417
2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
CID 54086447
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 87578260

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide (CID 87432428) is N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide?
The InChIKey is PKYAZNIYXKHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-10(6-2,7-11)12-9(13)8(3)4/h3,5-7,11H2,1-2,4H3,(H,12,13).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide?
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 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]-2-methylprop-2-enamide is sourced from PubChem (CID 87432428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).