N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine

C15H31N3O — CID 107429124

IUPACN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
SMILESCC(C)CC1CCCC(CN)(NN2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-13(2)10-14-4-3-5-15(11-14,12-16)17-18-6-8-19-9-7-18/h13-14,17H,3-12,16H2,1-2H3
InChIKeyGONKZXYMYZDROK-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine

N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine (PubChem CID 107429124) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
PubChem CID107429124
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
SMILESCC(C)CC1CCCC(CN)(NN2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-13(2)10-14-4-3-5-15(11-14,12-16)17-18-6-8-19-9-7-18/h13-14,17H,3-12,16H2,1-2H3
InChIKeyGONKZXYMYZDROK-UHFFFAOYSA-N
XLogP1.76
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine (CID 107429124) is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine is CC(C)CC1CCCC(CN)(NN2CCOCC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine?
The InChIKey is GONKZXYMYZDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)10-14-4-3-5-15(11-14,12-16)17-18-6-8-19-9-7-18/h13-14,17H,3-12,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine?
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine is sourced from PubChem (CID 107429124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).