N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

About N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 119611543) has the molecular formula C18H31ClN4O3 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name	N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID	119611543
Molecular Formula	C18H31ClN4O3
Molecular Weight	386.92 g/mol
Exact Mass	386.21
IUPAC Name	N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILES	CC1CCCCC12NC(=O)N(CC(=O)NC1CCCCC1CN)C2=O.Cl
InChI	InChI=1S/C18H30N4O3.ClH/c1-12-6-4-5-9-18(12)16(24)22(17(25)21-18)11-15(23)20-14-8-3-2-7-13(14)10-19;/h12-14H,2-11,19H2,1H3,(H,20,23)(H,21,25);1H
InChIKey	RAEQGKULNUQWQB-UHFFFAOYSA-N
XLogP	1.54
TPSA	104.53 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.92
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?

The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 119611543) is N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?

The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is CC1CCCCC12NC(=O)N(CC(=O)NC1CCCCC1CN)C2=O.Cl.

What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?

The InChIKey is RAEQGKULNUQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3.ClH/c1-12-6-4-5-9-18(12)16(24)22(17(25)21-18)11-15(23)20-14-8-3-2-7-13(14)10-19;/h12-14H,2-11,19H2,1H3,(H,20,23)(H,21,25);1H.

What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?

N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(aminomethyl)cyclohexyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119611543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).